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A1BU8

A1BU8
Name:	3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine
Formula:	C14 H17 N5
SMILES:	CN1CCN(CC1)c1nncc(c1)c1ccncc1
InChi:	InChI=1S/C14H17N5/c1-18-6-8-19(9-7-18)14-10-13(11-16-17-14)12-2-4-15-5-3-12/h2-5,10-11H,6-9H2,1H3
Definition date:	2025-01-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine

A1BUB

A1BUB
Name:	2-hydroxy-4-methylbenzoic acid
Formula:	C8 H8 O3
SMILES:	OC(=O)c1ccc(C)cc1O
InChi:	InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
Synonyms:	4-methyl salicylic acid
Definition date:	2025-01-22
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-hydroxy-4-methylbenzoic acid

A1BWS

A1BWS
Name:	(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid
Formula:	C10 H18 N2 O5
SMILES:	O=C(O)CC(O)C(=O)NC(CC(C)C)C(N)=O
InChi:	InChI=1S/C10H18N2O5/c1-5(2)3-6(9(11)16)12-10(17)7(13)4-8(14)15/h5-7,13H,3-4H2,1-2H3,(H2,11,16)(H,12,17)(H,14,15)/t6-,7-/m0/s1
Definition date:	2025-02-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid

A1BWT

A1BWT
Name:	(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid
Formula:	C20 H29 N3 O6
SMILES:	O=C(O)CC(O)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCNC(C)=O
InChi:	InChI=1S/C20H29N3O6/c1-14(24)21-10-6-3-7-11-22-19(28)16(12-15-8-4-2-5-9-15)23-20(29)17(25)13-18(26)27/h2,4-5,8-9,16-17,25H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,28)(H,23,29)(H,26,27)/t16-,17+/m0/s1
Definition date:	2025-02-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid

A1EBM

A1EBM
Name:	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal
Formula:	C10 H18 O
SMILES:	CC(C)CC=C(C=O)C(C)C
InChi:	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+
Definition date:	2024-09-06
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal

A1EBV

A1EBV
Name:	(3~{S})-3,7-dimethyloct-6-enal
Formula:	C10 H18 O
SMILES:	C[CH](CCC=C(C)C)CC=O
InChi:	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
Synonyms:	(S)-(-)-Citronellal
Definition date:	2024-09-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3~{S})-3,7-dimethyloct-6-enal

A1EKX

A1EKX
Name:	methyl 4-[[2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropen-1-ylmethoxy)phenyl]-6-oxidanyl-1-benzofuran-7-yl]oxy]-1~{H}-pyrrole-2-carboxylate
Formula:	C25 H19 F2 N O7
SMILES:	COC(=O)c1[nH]cc(Oc2c(O)ccc3cc(oc23)c4ccc(OC(F)F)c(OCC5=CC5)c4)c1
InChi:	InChI=1S/C25H19F2NO7/c1-31-24(30)17-10-16(11-28-17)33-23-18(29)6-4-15-9-20(34-22(15)23)14-5-7-19(35-25(26)27)21(8-14)32-12-13-2-3-13/h2,4-11,25,28-29H,3,12H2,1H3
Definition date:	2025-01-27
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl 4-[[2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropen-1-ylmethoxy)phenyl]-6-oxidanyl-1-benzofuran-7-yl]oxy]-1~{H}-pyrrole-2-carboxylate

A1L7S

A1L7S
Name:	5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole
Formula:	C24 H35 N3 O5 S
SMILES:	COc1ccc(CCCc2noc(n2)[CH]3CCCCN3[S](=O)(=O)C4CCCCC4)cc1OC
InChi:	InChI=1S/C24H35N3O5S/c1-30-21-15-14-18(17-22(21)31-2)9-8-13-23-25-24(32-26-23)20-12-6-7-16-27(20)33(28,29)19-10-4-3-5-11-19/h14-15,17,19-20H,3-13,16H2,1-2H3/t20-/m0/s1
Definition date:	2025-02-21
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole

A1L8M

A1L8M
Name:	[(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate
Formula:	C32 H58 O5
SMILES:	CCCCCC=CCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCC
InChi:	InChI=1S/C32H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,30,33H,3-9,14-29H2,1-2H3/b12-10+,13-11-/t30-/m0/s1
Definition date:	2025-03-07
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[(2~{S})-1-oxidanyl-3-[(~{E})-tetradec-9-enoyl]oxy-propan-2-yl] (~{Z})-pentadec-9-enoate

A1H6A

A1H6A
Name:	adamantane-1-carboxylic acid
Formula:	C11 H16 O2
SMILES:	OC(=O)C12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
Definition date:	2024-03-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	adamantane-1-carboxylic acid

A1H7R

A1H7R
Name:	(2S)-1-(4-bromophenyl)propan-2-amine
Formula:	C9 H12 Br N
SMILES:	C[CH](N)Cc1ccc(Br)cc1
InChi:	InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
Synonyms:	N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
Definition date:	2024-04-05
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(2~{S})-1-(4-bromophenyl)propan-2-amine

A1IQ1

A1IQ1
Name:	methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate
Formula:	C13 H15 N O3
SMILES:	COC(=O)C(C)=Cc1ccc(NC(C)=O)cc1
InChi:	InChI=1S/C13H15NO3/c1-9(13(16)17-3)8-11-4-6-12(7-5-11)14-10(2)15/h4-8H,1-3H3,(H,14,15)/b9-8-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate

A1IQY

A1IQY
Name:	methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate
Formula:	C11 H11 N O4
SMILES:	COC(=O)C(C)=Cc1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C11H11NO4/c1-8(11(13)16-2)7-9-3-5-10(6-4-9)12(14)15/h3-7H,1-2H3/b8-7-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate

OOI

OOI
Name:	4-fluorosalicyclic acid
Formula:	C7 H5 F O3
SMILES:	OC(=O)c1ccc(F)cc1O
InChi:	InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
Synonyms:	4-fluoranyl-2-oxidanyl-benzoic acid
Definition date:	2022-09-15
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	4-fluoranyl-2-oxidanyl-benzoic acid

9CP

9CP
Name:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
Formula:	C8 H13 N3 O6 S
SMILES:	O=CN1CC(NOS(=O)(=O)O)C(C)=CC1C(N)=O
InChi:	InChI=1S/C8H13N3O6S/c1-5-2-7(8(9)13)11(4-12)3-6(5)10-17-18(14,15)16/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7-/m0/s1
Definition date:	2017-04-19
Last modified:	2025-03-19
Release date:	2017-06-07
Identifier:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide

UWF

UWF
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-propan-2-yl-amino]methyl]oxolane-3,4-diol
Formula:	C26 H33 N11 O7
SMILES:	CC(C)N(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C26H33N11O7/c1-11(2)35(6-12-17(39)19(41)25(43-12)36-10-33-15-21(27)29-8-31-23(15)36)5-3-4-14-34-16-22(28)30-9-32-24(16)37(14)26-20(42)18(40)13(7-38)44-26/h8-13,17-20,25-26,38-42H,5-7H2,1-2H3,(H2,27,29,31)(H2,28,30,32)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-propan-2-yl-amino]methyl]oxolane-3,4-diol

UX6

UX6
Name:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-carbamimidamido-butanamide
Formula:	C28 H36 N14 O8
SMILES:	NC(=N)NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C28H36N14O8/c29-22-16-24(37-9-35-22)41(11-39-16)26-20(46)19(45)13(50-26)8-48-6-2-3-14-40-17-23(30)36-10-38-25(17)42(14)27-21(47)18(44)12(49-27)7-34-15(43)4-1-5-33-28(31)32/h9-13,18-21,26-27,44-47H,1,4-8H2,(H,34,43)(H2,29,35,37)(H2,30,36,38)(H4,31,32,33)/t12-,13+,18-,19-,20-,21-,26+,27+/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-carbamimidamido-butanamide

UJT

UJT
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol
Formula:	C26 H33 N11 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCO)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C26H33N11O8/c27-21-15-23(31-9-29-21)36(11-33-15)25-19(42)17(40)12(44-25)7-35(5-2-6-38)4-1-3-14-34-16-22(28)30-10-32-24(16)37(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,38-43H,2,4-8H2,(H2,27,29,31)(H2,28,30,32)/t12-,13+,17+,18+,19+,20+,25-,26-/m0/s1
Definition date:	2023-09-06
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol

UXX

UXX
Name:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea
Formula:	C31 H39 N13 O7
SMILES:	CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C31H39N13O7/c1-3-5-6-9-42(12-17-22(46)23(47)29(51-17)43-15-40-19-25(32)36-13-38-27(19)43)10-7-8-18-41-20-26(33)37-14-39-28(20)44(18)30-24(48)21(45)16(50-30)11-35-31(49)34-4-2/h1,13-17,21-24,29-30,45-48H,4-6,9-12H2,2H3,(H2,32,36,38)(H2,33,37,39)(H2,34,35,49)/t16-,17-,21-,22-,23-,24-,29-,30-/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea

UYP

UYP
Name:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-phenyl-urea
Formula:	C31 H35 N13 O7
SMILES:	CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)Nc4ccccc4)[CH](O)[CH]3O)C[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C31H35N13O7/c1-42(11-17-22(46)23(47)29(51-17)43-14-39-19-25(32)35-12-37-27(19)43)9-5-8-18-41-20-26(33)36-13-38-28(20)44(18)30-24(48)21(45)16(50-30)10-34-31(49)40-15-6-3-2-4-7-15/h2-4,6-7,12-14,16-17,21-24,29-30,45-48H,9-11H2,1H3,(H2,32,35,37)(H2,33,36,38)(H2,34,40,49)/t16-,17-,21-,22-,23-,24-,29-,30-/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-phenyl-urea

UZ6

UZ6
Name:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea
Formula:	C29 H40 N14 O7
SMILES:	CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCN)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C29H40N14O7/c1-2-33-29(48)34-9-14-19(44)22(47)28(49-14)43-16(40-18-24(32)36-12-38-26(18)43)5-3-7-41(8-4-6-30)10-15-20(45)21(46)27(50-15)42-13-39-17-23(31)35-11-37-25(17)42/h11-15,19-22,27-28,44-47H,2,4,6-10,30H2,1H3,(H2,31,35,37)(H2,32,36,38)(H2,33,34,48)/t14-,15-,19-,20-,21-,22-,27-,28-/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea

UZO

UZO
Name:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-(phenylmethyl)urea
Formula:	C34 H42 N14 O7
SMILES:	NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)NCc4ccccc4)[CH](O)[CH]3O)C[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C34H42N14O7/c35-9-5-11-46(14-20-25(50)26(51)32(55-20)47-17-44-22-28(36)40-15-42-30(22)47)10-4-8-21-45-23-29(37)41-16-43-31(23)48(21)33-27(52)24(49)19(54-33)13-39-34(53)38-12-18-6-2-1-3-7-18/h1-3,6-7,15-17,19-20,24-27,32-33,49-52H,5,9-14,35H2,(H2,36,40,42)(H2,37,41,43)(H2,38,39,53)/t19-,20+,24-,25-,26-,27-,32+,33+/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-(phenylmethyl)urea

ULU

ULU
Name:	~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide
Formula:	C29 H38 N15 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C29H38N15O8/c30-24-18-26(36-11-34-24)43(13-38-18)28-22(49)20(47)14(51-28)9-42(8-2-5-33-17(46)4-6-39-41-32)7-1-3-16-40-19-25(31)35-12-37-27(19)44(16)29-23(50)21(48)15(10-45)52-29/h11-15,20-23,28-29,32,45,47-50H,2,4-10H2,(H,33,46)(H2,30,34,36)(H2,31,35,37)/t14-,15+,20+,21+,22+,23+,28-,29-/m0/s1
Definition date:	2023-09-06
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide

V09

V09
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol
Formula:	C25 H24 N10 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4Cc6ccccc6)[CH](O)[CH]3O
InChi:	InChI=1S/C25H24N10O4/c26-21-17-23(30-11-28-21)35(13-32-17)25-20(37)19(36)15(39-25)10-38-8-4-7-16-33-18-22(27)29-12-31-24(18)34(16)9-14-5-2-1-3-6-14/h1-3,5-6,11-13,15,19-20,25,36-37H,8-10H2,(H2,26,28,30)(H2,27,29,31)/t15-,19-,20-,25-/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol

V0I

V0I
Name:	8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(dimethylsulfamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine
Formula:	C26 H35 N13 O8 S
SMILES:	CN(C)[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C26H35N13O8S/c1-36(2)48(44,45)34-7-12-17(40)20(43)26(46-12)39-14(35-16-22(28)30-10-32-24(16)39)5-4-6-37(3)8-13-18(41)19(42)25(47-13)38-11-33-15-21(27)29-9-31-23(15)38/h9-13,17-20,25-26,34,40-43H,6-8H2,1-3H3,(H2,27,29,31)(H2,28,30,32)/t12-,13+,17-,18-,19-,20-,25+,26+/m1/s1
Definition date:	2023-09-07
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(dimethylsulfamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine

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237992

數據於2025-06-25公開中

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