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VRD

VRD
Name:	({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid
Formula:	C21 H20 N2 O5
SMILES:	CCc2c(C(C(=O)N)=O)c1c(cccc1n2Cc3ccccc3)OCC(=O)O
InChi:	InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
Synonyms:	Varespladib
Definition date:	2019-07-25
Last modified:	2021-03-08
Release date:	2019-12-04
Identifier:	({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid

NJX

NJX
Name:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione
Formula:	C23 H26 N2 O5 Si
SMILES:	CN1C(=O)N(CC#C[Si](C)(C)C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O
InChi:	InChI=1S/C23H26N2O5Si/c1-14-15(21(28)20-17(26)8-6-9-18(20)27)10-11-16-19(14)22(29)25(23(30)24(16)2)12-7-13-31(3,4)5/h10-11,26H,6,8-9,12H2,1-5H3
Definition date:	2020-03-19
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione

FGO

FGO
Name:	[(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C22 H28 N7 O13 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(=O)NC5=O)[CH]6CC(O)(O)C[CH]36
InChi:	InChI=1S/C22H28N7O13P/c23-20-26-16-13(17(33)27-20)24-7-29(16)18-9-4-22(35,36)3-8(9)11(41-18)6-39-43(37,38)42-15-10(5-30)40-19(14(15)32)28-2-1-12(31)25-21(28)34/h1-2,7-11,14-15,18-19,30,32,35-36H,3-6H2,(H,37,38)(H,25,31,34)(H3,23,26,27,33)/t8-,9+,10+,11+,14+,15+,18+,19+/m0/s1
Definition date:	2020-05-12
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	[(1~{S},3~{R},3~{a}~{R},6~{a}~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3~{a},4,6,6~{a}-hexahydrocyclopenta[c]furan-1-yl]methyl [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Y6V

Y6V
Name:	~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Formula:	C17 H16 N2 O3 S
SMILES:	O=C1COc2cc(ccc2N1)C(=O)N(Cc3sccc3)C4CC4
InChi:	InChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20)
Definition date:	2021-02-08
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide

YOG

YOG
Name:	1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate
Formula:	C21 H40 O4
SMILES:	O(C(CO)CO)C(=O)CCCCCCC[C@H]=CCCCCCCCC
InChi:	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Definition date:	2020-08-27
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate

G6L

G6L
Name:	(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Formula:	C10 H17 N3 S
SMILES:	CCCN[CH]1CCc2nc(N)sc2C1
InChi:	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
Definition date:	2020-07-31
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(6~{S})-~{N}6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

G6O

G6O
Name:	(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Formula:	C14 H19 N O3
SMILES:	CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23
InChi:	InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
Definition date:	2020-07-31
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(4~{a}~{R},10~{b}~{R})-4-propyl-3,4~{a},5,10~{b}-tetrahydro-2~{H}-chromeno[4,3-b][1,4]oxazin-9-ol

H3C

H3C
Name:	N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
Formula:	C18 H14 F N5 O S
SMILES:	C[C]1(C=CSC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F
InChi:	InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
Definition date:	2020-10-29
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	~{N}-[3-[(4~{S})-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

HNX

HNX
Name:	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C22 H21 N O3
SMILES:	N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O
InChi:	InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

HO0

HO0
Name:	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C24 H23 N O3
SMILES:	N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
InChi:	InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

HO9

HO9
Name:	(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C25 H22 N2 O4
SMILES:	N[C]1(CCc2ccc(OCc3ccccc3c4oc5ccccc5n4)cc2C1)C(O)=O
InChi:	InChI=1S/C25H22N2O4/c26-25(24(28)29)12-11-16-9-10-19(13-18(16)14-25)30-15-17-5-1-2-6-20(17)23-27-21-7-3-4-8-22(21)31-23/h1-10,13H,11-12,14-15,26H2,(H,28,29)/t25-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

SJY

SJY
Name:	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid
Formula:	C17 H12 O3 S
SMILES:	Cc1ccc2oc(C#Cc3sccc3)c(CC(O)=O)c2c1
InChi:	InChI=1S/C17H12O3S/c1-11-4-6-15-13(9-11)14(10-17(18)19)16(20-15)7-5-12-3-2-8-21-12/h2-4,6,8-9H,10H2,1H3,(H,18,19)
Definition date:	2020-03-10
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid

OOZ

OOZ
Name:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
Formula:	C42 H67 N O12
SMILES:	CC[CH]1C=C(C)C[CH](C)C[CH](O)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[CH](C4)OC
InChi:	InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-34(47)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)35(21-28)52-7/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26+,27+,28-,29+,30-,31+,32-,34-,35+,36-,37+,38+,42+/m0/s1
Definition date:	2020-03-25
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone

OP5

OP5
Name:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
Formula:	C44 H69 N O13
SMILES:	CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC
InChi:	InChI=1S/C44H69NO13/c1-24-16-25(2)18-37(55-8)40-38(56-9)20-27(4)44(53,58-40)41(50)42(51)45-15-11-10-12-32(45)43(52)57-39(26(3)19-30-13-14-33(47)36(22-30)54-7)29(6)34(48)23-35(49)31(17-24)21-28(5)46/h17,19,25,27,29-34,36-40,47-48,53H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Definition date:	2020-03-25
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone

OP8

OP8
Name:	(1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone
Formula:	C43 H69 N O13
SMILES:	CC[CH]1[CH]2O[C]2(C)C[CH](C)C[CH](OC)[CH]3O[C](O)([CH](C)C[CH]3OC)C(=O)C(=O)N4CCCC[CH]4C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]5CC[CH](O)[CH](C5)OC
InChi:	InChI=1S/C43H69NO13/c1-10-28-32(47)21-31(46)26(5)36(24(3)18-27-14-15-30(45)33(20-27)52-7)55-41(50)29-13-11-12-16-44(29)40(49)38(48)43(51)25(4)19-35(54-9)37(56-43)34(53-8)17-23(2)22-42(6)39(28)57-42/h18,23,25-31,33-37,39,45-46,51H,10-17,19-22H2,1-9H3/b24-18+/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34+,35+,36-,37-,39-,42-,43-/m1/s1
Definition date:	2020-03-25
Last modified:	2021-03-05
Release date:	2021-03-10

R7Z

R7Z
Name:	~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
Formula:	C21 H23 F N2 O3
SMILES:	CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(F)c3C
InChi:	InChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
Definition date:	2020-09-17
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide

U6G

U6G
Name:	4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
Formula:	C24 H20 Cl2 N2 O2
SMILES:	c4(ccc(C(=O)NCc1ccc2c(c1)CCCN2C(=O)c3cccc(c3)Cl)cc4)Cl
InChi:	InChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29)
Definition date:	2020-04-28
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide

UMW

UMW
Name:	1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
Formula:	C8 H18 N2 O
SMILES:	CC(C)(O)CN1CC[CH](N)C1
InChi:	InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m0/s1
Definition date:	2021-03-02
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol

V1Y

V1Y
Name:	4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide
Formula:	C23 H16 Cl F N6 O S
SMILES:	c1cc(c(c2c1c(ncc2)Nc3c(c(ccc3)Cl)F)NC(c5c4c(c(ncn4)N)sc5)=O)C
InChi:	InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
Synonyms:	Belvarafenib
Definition date:	2020-06-16
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide

VKV

VKV
Name:	2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
Formula:	C23 H40 O3
SMILES:	C(CO)(OCCCCC=C/CC=C/C/C=CC/C=CCCCCC)CO
InChi:	InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
Synonyms:	2-Arachidonyl Glycerol Ether
Definition date:	2020-08-24
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol

VL7

VL7
Name:	1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Formula:	C21 H38 O4
SMILES:	C(CC(=O)OC(CO)CO)CCCCCC=[C@H]CC=C/CCCCC
InChi:	InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
Definition date:	2020-08-26
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

VLP

VLP
Name:	1,3-dihydroxypropan-2-yl hexadecanoate
Formula:	C19 H38 O4
SMILES:	C(CCCCCCC(OC(CO)CO)=O)CCCCCCCC
InChi:	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
Definition date:	2020-08-27
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,3-dihydroxypropan-2-yl hexadecanoate

VLZ

VLZ
Name:	1,3-dihydroxypropan-2-yl dodecanoate
Formula:	C15 H30 O4
SMILES:	O(C(CO)CO)C(=O)CCCCCCCCCCC
InChi:	InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3
Synonyms:	2-lauroylglycerol
Definition date:	2020-09-15
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,3-dihydroxypropan-2-yl dodecanoate

WD7

WD7
Name:	N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide
Formula:	C11 H16 N6 O4 S2
SMILES:	c12C(N(C)C(=O)N(C)c1ncn2CCNC(NS(C)(=O)=O)=O)=S
InChi:	InChI=1S/C11H16N6O4S2/c1-15-8-7(9(22)16(2)11(15)19)17(6-13-8)5-4-12-10(18)14-23(3,20)21/h6H,4-5H2,1-3H3,(H2,12,14,18)
Definition date:	2020-10-15
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide

WDA

WDA
Name:	5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Formula:	C19 H18 N6 O5
SMILES:	C(n2cnc1N(C(=O)N(C(c12)=O)C)C)c3ccc(cc3)CC4C(NC(=O)NC4=O)=O
InChi:	InChI=1S/C19H18N6O5/c1-23-14-13(17(28)24(2)19(23)30)25(9-20-14)8-11-5-3-10(4-6-11)7-12-15(26)21-18(29)22-16(12)27/h3-6,9,12H,7-8H2,1-2H3,(H2,21,22,26,27,29)
Definition date:	2020-10-16
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione

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