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K93

K93
Name:	12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one
Formula:	C20 H24 Lu N5 O4
SMILES:	OC(=O)c1cccc(CN2CCNCCN(CC2)Cc3cccc(n3)C(=O)O[Lu])n1
InChi:	InChI=1S/C20H25N5O4.Lu/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-08-10
Identifier:	12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one

K9D

K9D
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide
Formula:	C33 H35 N5 O4 S
SMILES:	O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3C(=O)c4cccc5c(ccc(C3=O)c45)N6CCc7ccccc7C6
InChi:	InChI=1S/C33H35N5O4S/c39-28(11-4-3-10-27-30-25(19-43-27)35-33(42)36-30)34-15-17-38-31(40)23-9-5-8-22-26(13-12-24(29(22)23)32(38)41)37-16-14-20-6-1-2-7-21(20)18-37/h1-2,5-9,12-13,25,27,30H,3-4,10-11,14-19H2,(H,34,39)(H2,35,36,42)/t25-,27-,30-/m0/s1
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide

K9R

K9R
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide
Formula:	C23 H29 N3 O4 S3
SMILES:	SCc1cc(CS)cc(c1)[CH]2C(=O)C[CH](NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C2=O
InChi:	InChI=1S/C23H29N3O4S3/c27-17-8-15(22(29)20(17)14-6-12(9-31)5-13(7-14)10-32)24-19(28)4-2-1-3-18-21-16(11-33-18)25-23(30)26-21/h5-7,15-16,18,20-21,31-32H,1-4,8-11H2,(H,24,28)(H2,25,26,30)/t15-,16+,18+,20+,21+/m1/s1
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide

KFR

KFR
Name:	methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate
Formula:	C28 H36 N4 O7
SMILES:	COC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)NC(=O)[CH](O)[CH](N)COc3ccc(O)cc3
InChi:	InChI=1S/C28H36N4O7/c1-16(2)12-23(31-27(36)25(34)21(29)15-39-19-10-8-18(33)9-11-19)26(35)32-24(28(37)38-3)13-17-14-30-22-7-5-4-6-20(17)22/h4-11,14,16,21,23-25,30,33-34H,12-13,15,29H2,1-3H3,(H,31,36)(H,32,35)/t21-,23+,24+,25+/m1/s1
Synonyms:	(2S-3R)-3-Amino-2-Hydroxybutyryl derivative
Definition date:	2022-05-25
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1~{H}-indol-3-yl)propanoate

AIW

AIW
Name:	phenylmethaneselenol
Formula:	C7 H8 Se
SMILES:	[SeH]Cc1ccccc1
InChi:	InChI=1S/C7H8Se/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Definition date:	2021-11-26
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	phenylmethaneselenol

AJ9

AJ9
Name:	3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one
Formula:	C24 H27 N O3
SMILES:	CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O
InChi:	InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3
Synonyms:	7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one
Definition date:	2021-11-29
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one

AJT

AJT
Name:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide
Formula:	C25 H31 N7 O3
SMILES:	O=C(NC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5
InChi:	InChI=1S/C25H31N7O3/c33-23(20-6-3-9-26-20)29-18-7-12-32(13-8-18)25(35)31-22-21(27-10-11-28-22)24(34)30-19-14-16-4-1-2-5-17(16)15-19/h1-2,4-5,10-11,18-20,26H,3,6-9,12-15H2,(H,29,33)(H,30,34)(H,28,31,35)/t20-/m0/s1
Definition date:	2021-11-30
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide

KMC

KMC
Name:	galangin
Formula:	C15 H10 O5
SMILES:	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
InChi:	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
Synonyms:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

KML

KML
Name:	pinocembrin
Formula:	C15 H12 O4
SMILES:	Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3
InChi:	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Synonyms:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one

KMU

KMU
Name:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
Formula:	C22 H19 Cl N2 O2
SMILES:	NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
InChi:	InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide

KNE

KNE
Name:	[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
Formula:	C15 H14 Cl N O
SMILES:	NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3
InChi:	InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine

KNR

KNR
Name:	1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
Formula:	C30 H49 N9 O5
SMILES:	CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c2
InChi:	InChI=1S/C30H49N9O5/c1-2-3-11-22-27(42)34-15-7-5-13-23(39-30(32)33)28(43)36-19-26(41)35-18-21-10-8-9-20(16-21)17-25(40)37-24(29(44)38-22)12-4-6-14-31/h8-10,16,22-24H,2-7,11-15,17-19,31H2,1H3,(H,34,42)(H,35,41)(H,36,43)(H,37,40)(H,38,44)(H4,32,33,39)/t22-,23+,24-/m0/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine

KQU

KQU
Name:	4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1
Synonyms:	4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{R})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

KR6

KR6
Name:	4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

FNW

FNW
Name:	[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
Formula:	C10 H6 Cl2 F3 N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)c(c2Cl)C(F)(F)F
InChi:	InChI=1S/C10H6Cl2F3N3O/c11-6-1-2-7(9(12)8(6)10(13,14)15)18-3-5(4-19)16-17-18/h1-3,19H,4H2
Definition date:	2022-01-25
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol

L1J

L1J
Name:	2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one
Formula:	C10 H13 N5 O4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO)O3
InChi:	InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
Definition date:	2022-06-09
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one

L4L

L4L
Name:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
Formula:	C13 H21 N O11 S
SMILES:	CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(=O)C=C
InChi:	InChI=1S/C13H21NO11S/c1-3-8(17)7(14-6(2)16)5-23-13-11(19)12(25-26(20,21)22)10(18)9(4-15)24-13/h3,7,9-13,15,18-19H,1,4-5H2,2H3,(H,14,16)(H,20,21,22)/t7-,9+,10-,11+,12-,13+/m0/s1
Definition date:	2022-06-15
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate

L5F

L5F
Name:	2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid
Formula:	C30 H32 N4 O7 S
SMILES:	C[CH]1[N]2Cc3cc(OCCOCCn4nnc5c(C)c(ccc45)[CH](CC(O)=O)c6ccc(C)c1c6)ccc3O[S]2(=O)=O
InChi:	InChI=1S/C30H32N4O7S/c1-18-4-5-21-15-25(18)20(3)34-17-22-14-23(6-9-28(22)41-42(34,37)38)40-13-12-39-11-10-33-27-8-7-24(26(21)16-29(35)36)19(2)30(27)31-32-33/h4-9,14-15,20,26H,10-13,16-17H2,1-3H3,(H,35,36)/t20-,26+/m1/s1
Definition date:	2022-06-20
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	2-[(1~{S},2~{R},8~{S})-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid

L8L

L8L
Name:	~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide
Formula:	C31 H38 N4 O4 S2
SMILES:	CCCN1C=C(c2ccc3n(CC4CCNCC4)cc(C)c3c2)c5sc(cc5C1=O)C(=O)NC6CC[S](=O)(=O)CC6
InChi:	InChI=1S/C31H38N4O4S2/c1-3-12-34-19-26(22-4-5-27-24(15-22)20(2)17-35(27)18-21-6-10-32-11-7-21)29-25(31(34)37)16-28(40-29)30(36)33-23-8-13-41(38,39)14-9-23/h4-5,15-17,19,21,23,32H,3,6-14,18H2,1-2H3,(H,33,36)
Definition date:	2022-06-21
Last modified:	2022-08-22
Release date:	2022-08-10
Identifier:	~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide

L8Z

L8Z
Name:	(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
Formula:	C102 H182 N2 O32 P2
SMILES:	CCCCCCCCCCCCCC(=O)O[CH](CCCC=CCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CC=CCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCC=CCC)[CH](OC(=O)C[CH](O)CC=CCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C102H182N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h14,20,42,48,52-53,58-59,77-84,91-100,105-109,116-117H,7-13,15-19,21-41,43-47,49-51,54-57,60-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/b20-14+,48-42+,58-52+,59-53+/t77-,78-,79-,80-,81-,82-,83-,84-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,102-/m1/s1
Definition date:	2022-06-21
Last modified:	2022-08-22
Release date:	2022-07-27
Identifier:	(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid

IF3

IF3
Name:	~{N}2,~{N}6,9-trimethylpurine-2,6-diamine
Formula:	C8 H12 N6
SMILES:	CNc1nc(NC)c2ncn(C)c2n1
InChi:	InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13)
Definition date:	2022-03-16
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	~{N}2,~{N}6,9-trimethylpurine-2,6-diamine

IFO

IFO
Name:	(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid
Formula:	C23 H24 F2 N2 O7 S
SMILES:	CC(C)([CH](NC=C(NC(=O)COc1ccccc1)C=O)C(=O)OCc2ccc(F)cc2F)[S](O)=O
InChi:	InChI=1S/C23H24F2N2O7S/c1-23(2,35(31)32)21(22(30)34-13-15-8-9-16(24)10-19(15)25)26-11-17(12-28)27-20(29)14-33-18-6-4-3-5-7-18/h3-12,21,26H,13-14H2,1-2H3,(H,27,29)(H,31,32)/b17-11-/t21-/m0/s1
Synonyms:	penicillin derivative (open form)
Definition date:	2022-03-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	(3~{S})-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(~{Z})-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid

IFZ

IFZ
Name:	3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C6 H6 Br N5
SMILES:	CNc1ncnc2c(Br)[nH]nc12
InChi:	InChI=1S/C6H6BrN5/c1-8-6-4-3(9-2-10-6)5(7)12-11-4/h2H,1H3,(H,11,12)(H,8,9,10)
Definition date:	2022-03-18
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

IGJ

IGJ
Name:	9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
Formula:	C20 H20 F N7 O
SMILES:	CN1C(=O)N([CH]2CNC[CH]2F)c3nc(Nc4cc5cccnc5cc4C)ncc13
InChi:	InChI=1S/C20H20FN7O/c1-11-6-15-12(4-3-5-23-15)7-14(11)25-19-24-10-17-18(26-19)28(20(29)27(17)2)16-9-22-8-13(16)21/h3-7,10,13,16,22H,8-9H2,1-2H3,(H,24,25,26)/t13-,16-/m1/s1
Definition date:	2022-03-18
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one

IGT

IGT
Name:	5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
Formula:	C6 H9 N3 O2
SMILES:	CN1C(=O)NC(=C(N)C1=O)C
InChi:	InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)
Definition date:	2022-03-21
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	5-azanyl-3,6-dimethyl-1~{H}-pyrimidine-2,4-dione

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