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KIG

KIG
Name:	2-[[(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-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid
Formula:	C27 H35 N13 O10 S
SMILES:	NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O
InChi:	InChI=1S/C27H35N13O10S/c28-3-5-51(47,48)36-6-12-18(43)21(46)27(49-12)40-14(37-17-23(30)32-10-34-25(17)40)2-1-4-38(8-15(41)42)7-13-19(44)20(45)26(50-13)39-11-35-16-22(29)31-9-33-24(16)39/h9-13,18-21,26-27,36,43-46H,3-8,28H2,(H,41,42)(H2,29,31,33)(H2,30,32,34)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1
Definition date:	2022-05-25
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	2-[[(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-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid

KIO

KIO
Name:	(1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione
Formula:	C27 H31 N13 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)CNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O
InChi:	InChI=1S/C27H31N13O8/c28-22-16-24(34-8-32-22)39(10-36-16)26-20(45)19(44)12(48-26)6-38-3-1-2-13-37-17-23(29)33-9-35-25(17)40(13)27-21(46)18(43)11(47-27)4-30-14(41)5-31-15(42)7-38/h8-12,18-21,26-27,43-46H,3-7H2,(H,30,41)(H,31,42)(H2,28,32,34)(H2,29,33,35)/t11-,12-,18-,19-,20-,21-,26-,27-/m1/s1
Definition date:	2022-05-25
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione

KIT

KIT
Name:	(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione
Formula:	C28 H33 N13 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O
InChi:	InChI=1S/C28H33N13O8/c29-23-17-25(35-9-33-23)40(11-37-17)27-21(46)20(45)13(49-27)7-39-5-1-2-14-38-18-24(30)34-10-36-26(18)41(14)28-22(47)19(44)12(48-28)6-32-15(42)3-4-31-16(43)8-39/h9-13,19-22,27-28,44-47H,3-8H2,(H,31,43)(H,32,42)(H2,29,33,35)(H2,30,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1
Definition date:	2022-05-25
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione

XEM

XEM
Name:	1-nitrosopropane
Formula:	C3 H7 N O
SMILES:	CCCN=O
InChi:	InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
Definition date:	2020-12-14
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	1-nitrosopropane

UEL

UEL
Name:	(7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Formula:	C9 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O
InChi:	InChI=1S/C9H14N5O7P/c15-4-1-6(21-5(4)2-20-22(17,18)19)14-8-7(12-13-14)9(16)11-3-10-8/h3-6,9,15-16H,1-2H2,(H,10,11)(H2,17,18,19)/t4-,5+,6+,9+/m0/s1
Definition date:	2022-08-17
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

XKR

XKR
Name:	N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide
Formula:	C18 H17 Cl F2 N4 O3 S
SMILES:	O=C(NC(CN)c1nc(CO)c(CO)s1)c1ccc([NH]1)c1cc(F)c(Cl)c(F)c1
InChi:	InChI=1S/C18H17ClF2N4O3S/c19-16-9(20)3-8(4-10(16)21)11-1-2-12(23-11)17(28)24-13(5-22)18-25-14(6-26)15(7-27)29-18/h1-4,13,23,26-27H,5-7,22H2,(H,24,28)/t13-/m0/s1
Synonyms:	NBD-14208
Definition date:	2022-11-28
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide

XKW

XKW
Name:	(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide
Formula:	C17 H16 F3 N5 O2 S
SMILES:	O=C(NC(CN)c1ncc(CO)s1)c1ccc([NH]1)c1ccc(cn1)C(F)(F)F
InChi:	InChI=1S/C17H16F3N5O2S/c18-17(19,20)9-1-2-11(22-6-9)12-3-4-13(24-12)15(27)25-14(5-21)16-23-7-10(8-26)28-16/h1-4,6-7,14,24,26H,5,8,21H2,(H,25,27)/t14-/m0/s1
Definition date:	2022-11-28
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide

KQO

KQO
Name:	(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
Formula:	C25 H28 F N5 O3
SMILES:	COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH](F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4
InChi:	InChI=1S/C25H28FN5O3/c1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19/h5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32)/t17-,21-/m1/s1
Definition date:	2022-10-06
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide

LAW

LAW
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]-2-azanyl-ethanesulfonamide
Formula:	C25 H32 N12 O9 S
SMILES:	NCC[S](=O)(=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/C25H32N12O9S/c26-3-5-47(42,43)34-6-11-16(38)19(41)25(45-11)37-13(35-15-21(28)30-9-32-23(15)37)2-1-4-44-7-12-17(39)18(40)24(46-12)36-10-33-14-20(27)29-8-31-22(14)36/h8-12,16-19,24-25,34,38-41H,3-7,26H2,(H2,27,29,31)(H2,28,30,32)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1
Definition date:	2022-06-29
Last modified:	2023-01-06
Release date:	2023-01-11
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]-2-azanyl-ethanesulfonamide

LDI

LDI
Name:	1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide
Formula:	C15 H23 N3 O2
SMILES:	ONC(=O)C1CCN(CCNCc2ccccc2)CC1
InChi:	InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19)
Definition date:	2022-03-02
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide

OA9

OA9
Name:	Mesaconyl Coenzme A
Formula:	C26 H40 N7 O19 P3 S
SMILES:	CC(=CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20+,24-/m1/s1
Synonyms:	(~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid
Definition date:	2022-09-01
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid

OOX

OOX
Name:	14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one
Formula:	C18 H21 N O4
SMILES:	O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54
InChi:	InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Synonyms:	Oxycodone
Definition date:	2022-03-04
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one

OWU

OWU
Name:	(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one
Formula:	C27 H33 N13 O9 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CN[S](=O)(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O
InChi:	InChI=1S/C27H33N13O9S/c28-22-16-24(33-9-31-22)39(11-35-16)26-20(44)19(43)13(49-26)7-38-4-1-2-14-37-17-23(29)32-10-34-25(17)40(14)27-21(45)18(42)12(48-27)6-36-50(46,47)5-3-30-15(41)8-38/h9-13,18-21,26-27,36,42-45H,3-8H2,(H,30,41)(H2,28,31,33)(H2,29,32,34)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1
Definition date:	2022-09-27
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one

OX0

OX0
Name:	(10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one
Formula:	C25 H23 Cl N4 O
SMILES:	Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#C)c3)CC=2C1=O
InChi:	InChI=1S/C25H23ClN4O/c1-2-18-4-3-5-20(14-18)15-28-12-10-23-22(17-28)24(31)30(25-27-11-13-29(23)25)16-19-6-8-21(26)9-7-19/h1,3-9,14H,10-13,15-17H2
Definition date:	2022-05-18
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one

OY9

OY9
Name:	3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
Formula:	C22 H19 Cl N4 O
SMILES:	Clc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O
InChi:	InChI=1S/C22H19ClN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2
Definition date:	2022-05-19
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile

P3O

P3O
Name:	3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile
Formula:	C23 H21 Cl N4 O2
SMILES:	Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)Cc1cccc(C#N)c1
InChi:	InChI=1S/C23H21ClN4O2/c1-26-21-9-10-27(13-18-4-2-3-17(11-18)12-25)15-20(21)22(29)28(23(26)30)14-16-5-7-19(24)8-6-16/h2-8,11H,9-10,13-15H2,1H3
Definition date:	2022-05-24
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile

P4I

P4I
Name:	3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
Formula:	C22 H19 Br N4 O
SMILES:	Brc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O
InChi:	InChI=1S/C22H19BrN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2
Definition date:	2022-05-24
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile

PJF

PJF
Name:	3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile
Formula:	C24 H22 Cl N5 O
SMILES:	Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)c3)CC=2C1=O
InChi:	InChI=1S/C24H22ClN5O/c25-20-6-4-17(5-7-20)15-30-23(31)21-16-28(14-19-3-1-2-18(12-19)13-26)10-8-22(21)29-11-9-27-24(29)30/h1-7,12H,8-11,14-16H2
Definition date:	2022-05-26
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile

Q8C

Q8C
Name:	N-benzyladenosine
Formula:	C17 H19 N5 O4
SMILES:	OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O
InChi:	InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
Definition date:	2022-06-01
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-benzyladenosine

Q8L

Q8L
Name:	Piclidenoson
Formula:	C18 H19 I N6 O4
SMILES:	Ic1cccc(c1)CNc1ncnc2c1ncn2C1OC(C(O)C1O)C(=O)NC
InChi:	InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
Definition date:	2022-06-01
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide (non-preferred name)

Q8R

Q8R
Name:	N-(2-phenylethyl)adenosine
Formula:	C18 H21 N5 O4
SMILES:	OCC1OC(n2cnc3c(NCCc4ccccc4)ncnc32)C(O)C1O
InChi:	InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
Definition date:	2022-06-01
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-(2-phenylethyl)adenosine

Q8Y

Q8Y
Name:	N-(3-phenylpropyl)adenosine
Formula:	C19 H23 N5 O4
SMILES:	OCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O
InChi:	InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
Definition date:	2022-06-01
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-(3-phenylpropyl)adenosine

Q9W

Q9W
Name:	N-(4-phenylbutyl)adenosine
Formula:	C20 H25 N5 O4
SMILES:	OCC1OC(n2cnc3c(NCCCCc4ccccc4)ncnc32)C(O)C1O
InChi:	InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1
Definition date:	2022-06-03
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-(4-phenylbutyl)adenosine

QA2

QA2
Name:	N-[2-(4-aminophenyl)ethyl]adenosine
Formula:	C18 H22 N6 O4
SMILES:	Nc1ccc(cc1)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChi:	InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
Definition date:	2022-06-03
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-[2-(4-aminophenyl)ethyl]adenosine

QA6

QA6
Name:	N-[3-(4-hydroxyphenyl)propyl]adenosine
Formula:	C19 H23 N5 O5
SMILES:	Oc1ccc(cc1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChi:	InChI=1S/C19H23N5O5/c25-8-13-15(27)16(28)19(29-13)24-10-23-14-17(21-9-22-18(14)24)20-7-1-2-11-3-5-12(26)6-4-11/h3-6,9-10,13,15-16,19,25-28H,1-2,7-8H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
Definition date:	2022-06-03
Last modified:	2023-01-06
Release date:	2023-01-11
Identifier:	N-[3-(4-hydroxyphenyl)propyl]adenosine

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