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7SQ

7SQ
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole
Formula:	C9 H5 Cl F3 N3
SMILES:	FC(F)(F)c1cc(ccc1Cl)n2ccnn2
InChi:	InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H
Definition date:	2021-08-24
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole

7T0

7T0
Name:	1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole
Formula:	C9 H4 Cl2 F3 N3
SMILES:	FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl
InChi:	InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
Synonyms:	1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole

7T5

7T5
Name:	(2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
Formula:	C30 H35 F N4 O3
SMILES:	CC(C)C(=O)N1C[CH](C[CH]1CNC(=O)c2ccc(cc2)C#Cc3ccc(C)cc3)NC(=O)[CH]4C[CH](F)CN4
InChi:	InChI=1S/C30H35FN4O3/c1-19(2)30(38)35-18-25(34-29(37)27-14-24(31)16-32-27)15-26(35)17-33-28(36)23-12-10-22(11-13-23)9-8-21-6-4-20(3)5-7-21/h4-7,10-13,19,24-27,32H,14-18H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27-/m0/s1
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},4~{S})-4-fluoranyl-~{N}-[(3~{R},5~{R})-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

7TF

7TF
Name:	(2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide
Formula:	C34 H40 F N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](N(C2)C(=O)C3CC3)C(=O)NCc4ccc(cc4)C#Cc5ccc(CN6CCOCC6)cc5
InChi:	InChI=1S/C34H40FN5O4/c35-28-17-30(36-20-28)32(41)38-29-18-31(40(22-29)34(43)27-11-12-27)33(42)37-19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)21-39-13-15-44-16-14-39/h3-10,27-31,36H,11-22H2,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{R},4~{R})-1-cyclopropylcarbonyl-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide

7TI

7TI
Name:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
Synonyms:	clorsulon
Definition date:	2021-08-31
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide

7UE

7UE
Name:	5-pyrrol-1-ylpyridine-3-carboxylic acid
Formula:	C10 H8 N2 O2
SMILES:	OC(=O)c1cncc(c1)n2cccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
Definition date:	2021-09-01
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	5-pyrrol-1-ylpyridine-3-carboxylic acid

OJC

OJC
Name:	(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
Formula:	C15 H21 N5 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2C1O)C(O)C3O
InChi:	InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Definition date:	2022-05-06
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione

63Z

63Z
Name:	[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
Formula:	C10 H7 Cl F3 N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:	InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
Synonyms:	(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
Definition date:	2021-07-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol

6G8

6G8
Name:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Formula:	C35 H42 F N5 O4
SMILES:	Cc1cc(ccc1C(=O)NC[CH]2C[CH](CN2C(=O)C3CC3)NC(=O)[CH]4C[CH](F)CN4)C#Cc5ccc(CN6CCOCC6)cc5
InChi:	InChI=1S/C35H42FN5O4/c1-23-16-25(5-2-24-3-6-26(7-4-24)21-40-12-14-45-15-13-40)8-11-31(23)33(42)38-20-30-18-29(22-41(30)35(44)27-9-10-27)39-34(43)32-17-28(36)19-37-32/h3-4,6-8,11,16,27-30,32,37H,9-10,12-15,17-22H2,1H3,(H,38,42)(H,39,43)/t28-,29+,30+,32-/m0/s1
Definition date:	2021-07-26
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

6I1

6I1
Name:	pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate
Formula:	C35 H26 N2 O7
SMILES:	CN1C(=O)N(CC(=O)Oc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O
InChi:	InChI=1S/C35H26N2O7/c1-18-22(33(41)32-25(38)7-4-8-26(32)39)14-15-24-29(18)34(42)37(35(43)36(24)2)17-28(40)44-27-16-12-21-10-9-19-5-3-6-20-11-13-23(27)31(21)30(19)20/h3,5-6,9-16,38H,4,7-8,17H2,1-2H3
Definition date:	2021-09-10
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate

6I3

6I3
Name:	2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide
Formula:	C20 H22 N4 O4 S
SMILES:	COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC
InChi:	InChI=1S/C20H22N4O4S/c1-24-15-8-6-5-7-14(15)22-20(24)29-12-17(25)23-21-11-13-9-10-16(26-2)19(28-4)18(13)27-3/h5-11H,12H2,1-4H3,(H,23,25)/b21-11+
Definition date:	2022-02-15
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	2-(1-methylbenzimidazol-2-yl)sulfanyl-~{N}-[(~{E})-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide

6OI

6OI
Name:	(2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid
Formula:	C7 H16 N2 O7 S
SMILES:	N[CH](CO[S](O)(=O)=O)[CH](O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C7H16N2O7S/c8-4(7(11)12)1-2-6(10)5(9)3-16-17(13,14)15/h4-6,10H,1-3,8-9H2,(H,11,12)(H,13,14,15)/t4-,5-,6-/m0/s1
Definition date:	2022-02-16
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},5~{S},6~{S})-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid

R1Y

R1Y
Name:	1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide
Formula:	C8 H13 N5 O4
SMILES:	N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O
InChi:	InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1
Definition date:	2022-06-15
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide

R2O

R2O
Name:	N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
Formula:	C9 H10 F N3
SMILES:	Fc1ccc(NC2=NCCN2)cc1
InChi:	InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
Definition date:	2022-06-15
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

SKL

SKL
Name:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Formula:	C21 H14 Cl N3 O4
SMILES:	[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1
InChi:	InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
Definition date:	2022-07-07
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

8Z3

8Z3
Name:	(2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C29 H32 F N O6 S
SMILES:	Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[CH](OC(C)(C)C)C(O)=O
InChi:	InChI=1S/C29H32FNO6S/c1-15-11-12-19(21(32)13-15)22-16(2)23-25-18(9-8-10-20(25)30)14-31(38(7,35)36)26(23)17(3)24(22)27(28(33)34)37-29(4,5)6/h8-13,27,32H,14H2,1-7H3,(H,33,34)/t27-/m0/s1
Definition date:	2021-12-28
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S})-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6~{H}-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

AJW

AJW
Name:	7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
Formula:	C23 H29 N3 O2
SMILES:	O=C1CCc2ccc(OCCCCN3CCN(CC3)c4ccccc4)cc2N1
InChi:	InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)
Definition date:	2022-03-24
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1~{H}-quinolin-2-one

89T

89T
Name:	N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
Formula:	C17 H24 N8 O3 S
SMILES:	COC[CH](C)Nc1ccc(N[S](=O)(=O)N(C)C)c(Nc2ccc3nn[nH]c3c2)n1
InChi:	InChI=1S/C17H24N8O3S/c1-11(10-28-4)18-16-8-7-14(23-29(26,27)25(2)3)17(20-16)19-12-5-6-13-15(9-12)22-24-21-13/h5-9,11,23H,10H2,1-4H3,(H2,18,19,20)(H,21,22,24)/t11-/m0/s1
Definition date:	2021-12-01
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	6-[[3-(dimethylsulfamoylamino)-6-[[(2~{S})-1-methoxypropan-2-yl]amino]pyridin-2-yl]amino]-1~{H}-benzotriazole

TJC

TJC
Name:	{5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
Formula:	C31 H33 Cl N2 O4
SMILES:	CC(C)(C)c1ccc(cc1)CNC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OCC(=O)O)c1)c(C)c2C
InChi:	InChI=1S/C31H33ClN2O4/c1-19-20(2)34(17-22-8-12-26(32)28(14-22)38-18-29(35)36)27-13-9-23(15-25(19)27)30(37)33-16-21-6-10-24(11-7-21)31(3,4)5/h6-15H,16-18H2,1-5H3,(H,33,37)(H,35,36)
Definition date:	2022-07-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	{5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid

TJO

TJO
Name:	(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid
Formula:	C33 H37 Cl N2 O4
SMILES:	CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C
InChi:	InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m1/s1
Definition date:	2022-07-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid

IEI

IEI
Name:	(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C53 H62 Br F N8 O6 S
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCN5CCC(CC5)c6ccc7N8c9cccc(Br)c9C(=O)N=C8N(C%10CCCC%10)c7c6)c2
InChi:	InChI=1S/C53H62BrFN8O6S/c1-31-45(70-30-57-31)34-13-14-35(28-56-47(65)42-27-37(64)29-61(42)49(67)46(52(2,3)4)58-50(68)53(55)19-20-53)43(26-34)69-24-8-21-60-22-17-32(18-23-60)33-15-16-39-41(25-33)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-12-40(44)63(39)51/h7,11-16,25-26,30,32,36-37,42,46,64H,5-6,8-10,17-24,27-29H2,1-4H3,(H,56,65)(H,58,68)/t37-,42+,46-/m1/s1
Synonyms:	(2S,4R)-N-(2-(3-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9- yl)piperidin-1-yl)propoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1- carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
Definition date:	2022-03-14
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

IVN

IVN
Name:	(2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
Formula:	C25 H22 Cl F3 N6 O3
SMILES:	Cc1ccn(n1)c2cc(Cl)ccc2[CH](Oc3cc(nc(N)n3)c4ccc(C[CH](N)C(O)=O)cc4)C(F)(F)F
InChi:	InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22-/m1/s1
Definition date:	2022-04-14
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid

IVQ

IVQ
Name:	8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione
Formula:	C24 H22 N6 O4
SMILES:	CCCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5cc6OCOc6cc5n4)nc12
InChi:	InChI=1S/C24H22N6O4/c1-2-8-29-22-21(23(31)28-24(29)32)30(12-14-6-4-3-5-7-14)20(27-22)11-19-25-15-9-17-18(34-13-33-17)10-16(15)26-19/h3-7,9-10H,2,8,11-13H2,1H3,(H,25,26)(H,28,31,32)
Definition date:	2022-04-14
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione

IVW

IVW
Name:	8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione
Formula:	C23 H20 N6 O2
SMILES:	O=C1NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccccc5n4)nc2N1C6CC6
InChi:	InChI=1S/C23H20N6O2/c30-22-20-21(29(15-10-11-15)23(31)27-22)26-19(28(20)13-14-6-2-1-3-7-14)12-18-24-16-8-4-5-9-17(16)25-18/h1-9,15H,10-13H2,(H,24,25)(H,27,30,31)
Definition date:	2022-04-14
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione

IVZ

IVZ
Name:	(2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid
Formula:	C26 H26 N8 O5
SMILES:	CN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccc(NC(=O)CC[CH](N)C(O)=O)cc5n4)nc12
InChi:	InChI=1S/C26H26N8O5/c1-33-23-22(24(36)32-26(33)39)34(13-14-5-3-2-4-6-14)20(31-23)12-19-29-17-9-7-15(11-18(17)30-19)28-21(35)10-8-16(27)25(37)38/h2-7,9,11,16H,8,10,12-13,27H2,1H3,(H,28,35)(H,29,30)(H,37,38)(H,32,36,39)/t16-/m1/s1
Definition date:	2022-04-14
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid

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