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LCT

LCT
Name:	N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
Formula:	C10 H8 N4 O3 S
SMILES:	O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C
InChi:	InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
Definition date:	2013-07-24
Last modified:	2020-02-14
Release date:	2014-11-05
Identifier:	N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide

LEB

LEB
Name:	1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine
Formula:	C16 H14 Br F3 N2
SMILES:	CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1
InChi:	InChI=1S/C16H14BrF3N2/c1-21-8-10-2-5-14-13(6-10)12-4-3-11(17)7-15(12)22(14)9-16(18,19)20/h2-7,21H,8-9H2,1H3
Definition date:	2019-08-09
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine

LEK

LEK
Name:	1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine
Formula:	C19 H19 N3 S
SMILES:	CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4
InChi:	InChI=1S/C19H19N3S/c1-3-22-18-7-4-13(10-20-2)8-16(18)15-6-5-14(9-19(15)22)17-11-23-12-21-17/h4-9,11-12,20H,3,10H2,1-2H3
Definition date:	2019-08-09
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine

LHH

LHH
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C12 H18 N3 O9 P
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)NC(C)=O
InChi:	InChI=1S/C12H18N3O9P/c1-6(16)13-8-3-4-15(12(18)14-8)11-10(22-2)9(17)7(24-11)5-23-25(19,20)21/h3-4,7,9-11,17H,5H2,1-2H3,(H2,19,20,21)(H,13,14,16,18)/t7-,9-,10-,11-/m1/s1
Definition date:	2019-08-15
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

JXB

JXB
Name:	9-(4-azidobutyl)-8-bromanyl-purin-6-amine
Formula:	C9 H11 Br N8
SMILES:	Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(4-azidobutyl)-8-bromanyl-purin-6-amine

JXE

JXE
Name:	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
Formula:	C9 H11 Br2 N5
SMILES:	Nc1ncnc2n(CCCCBr)c(Br)nc12
InChi:	InChI=1S/C9H11Br2N5/c10-3-1-2-4-16-8-6(15-9(16)11)7(12)13-5-14-8/h5H,1-4H2,(H2,12,13,14)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine

JXH

JXH
Name:	8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine
Formula:	C10 H12 Br N5 O
SMILES:	Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12
InChi:	InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine

JXK

JXK
Name:	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
Formula:	C8 H11 Br N6
SMILES:	NCCCn1c(Br)nc2c(N)ncnc12
InChi:	InChI=1S/C8H11BrN6/c9-8-14-5-6(11)12-4-13-7(5)15(8)3-1-2-10/h4H,1-3,10H2,(H2,11,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine

JY5

JY5
Name:	3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
Formula:	C13 H15 N5 O2
SMILES:	Nc1ncnc2n([CH]3CCCCO3)c(nc12)C#CCO
InChi:	InChI=1S/C13H15N5O2/c14-12-11-13(16-8-15-12)18(9(17-11)4-3-6-19)10-5-1-2-7-20-10/h8,10,19H,1-2,5-7H2,(H2,14,15,16)/t10-/m1/s1
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol

JY8

JY8
Name:	9-ethyl-8-methyl-purin-6-amine
Formula:	C8 H11 N5
SMILES:	CCn1c(C)nc2c(N)ncnc12
InChi:	InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-ethyl-8-methyl-purin-6-amine

JYE

JYE
Name:	9-(3-azidopropyl)-8-bromanyl-purin-6-amine
Formula:	C8 H9 Br N8
SMILES:	Nc1ncnc2n(CCCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C8H9BrN8/c9-8-15-5-6(10)12-4-13-7(5)17(8)3-1-2-14-16-11/h4H,1-3H2,(H2,10,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(3-azidopropyl)-8-bromanyl-purin-6-amine

JYK

JYK
Name:	9-(2-azidoethyl)-8-bromanyl-purin-6-amine
Formula:	C7 H7 Br N8
SMILES:	Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(2-azidoethyl)-8-bromanyl-purin-6-amine

JYN

JYN
Name:	9-(4-azidobutyl)purin-6-amine
Formula:	C9 H12 N8
SMILES:	Nc1ncnc2n(CCCCN=[N+]=[N-])cnc12
InChi:	InChI=1S/C9H12N8/c10-8-7-9(13-5-12-8)17(6-14-7)4-2-1-3-15-16-11/h5-6H,1-4H2,(H2,10,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(4-azidobutyl)purin-6-amine

JYT

JYT
Name:	3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
Formula:	C8 H10 Br N5 O
SMILES:	Nc1ncnc2n(CCCO)c(Br)nc12
InChi:	InChI=1S/C8H10BrN5O/c9-8-13-5-6(10)11-4-12-7(5)14(8)2-1-3-15/h4,15H,1-3H2,(H2,10,11,12)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol

JYW

JYW
Name:	4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
Formula:	C9 H12 Br N5 O
SMILES:	Nc1ncnc2n(CCCCO)c(Br)nc12
InChi:	InChI=1S/C9H12BrN5O/c10-9-14-6-7(11)12-5-13-8(6)15(9)3-1-2-4-16/h5,16H,1-4H2,(H2,11,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol

K0Q

K0Q
Name:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
Formula:	C17 H17 N3 O3
SMILES:	OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O
InChi:	InChI=1S/C17H17N3O3/c21-15-6-3-9-20(17(15)23)11-16(22)18-8-7-12-10-19-14-5-2-1-4-13(12)14/h1-6,9-10,19,21H,7-8,11H2,(H,18,22)
Definition date:	2019-04-12
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide

K2K

K2K
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
Formula:	C19 H21 N11 O3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O
InChi:	InChI=1S/C19H21N11O3/c20-15-11-17(25-6-23-15)29-10(28-11)3-1-2-4-22-5-9-13(31)14(32)19(33-9)30-8-27-12-16(21)24-7-26-18(12)30/h6-9,13-14,19,22,31-32H,2,4-5H2,(H2,21,24,26)(H3,20,23,25,28,29)/t9-,13-,14-,19-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol

K2W

K2W
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
Formula:	C24 H29 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C24H29N11O7/c25-19-13-21(30-7-28-19)34(9-32-13)23-17(39)15(37)10(41-23)5-27-4-2-1-3-12-33-14-20(26)29-8-31-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,27,36-40H,2,4-6H2,(H2,25,28,30)(H2,26,29,31)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol

K38

K38
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-ynylamino]methyl]oxolane-3,4-diol
Formula:	C23 H27 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
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-ynylamino]methyl]oxolane-3,4-diol

K3B

K3B
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
Formula:	C18 H18 N10 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O
InChi:	InChI=1S/C18H18N10O4/c19-14-10-16(23-5-21-14)27-9(26-10)2-1-3-31-4-8-12(29)13(30)18(32-8)28-7-25-11-15(20)22-6-24-17(11)28/h5-8,12-13,18,29-30H,3-4H2,(H2,20,22,24)(H3,19,21,23,26,27)/t8-,12-,13-,18-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol

K3E

K3E
Name:	(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-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]oxolane-3,4-diol
Formula:	C23 H27 N11 O7
SMILES:	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/C23H27N11O7/c24-4-9-14(35)17(38)23(40-9)34-11(32-13-19(26)28-7-30-21(13)34)2-1-3-39-5-10-15(36)16(37)22(41-10)33-8-31-12-18(25)27-6-29-20(12)33/h6-10,14-17,22-23,35-38H,3-5,24H2,(H2,25,27,29)(H2,26,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-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]oxolane-3,4-diol

K3K

K3K
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[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]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C23 H26 N10 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[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]-5-(hydroxymethyl)oxolane-3,4-diol

AMD

AMD
Name:	ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C14 H19 N6 O9 P
SMILES:	O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C14H19N6O9P/c15-6(1-10(22)23)14(24)29-30(25,26)27-3-8-7(21)2-9(28-8)20-5-19-11-12(16)17-4-18-13(11)20/h4-9,21H,1-3,15H2,(H,22,23)(H,25,26)(H2,16,17,18)/t6-,7-,8+,9+/m0/s1
Definition date:	1999-07-20
Last modified:	2020-02-14
Identifier:	5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine

BV0

BV0
Name:	6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
Formula:	C24 H25 N6 O3
SMILES:	CC1=CC=CN2C(=O)c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[CH]5CCCO5)c3N=C12
InChi:	InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1
Definition date:	2019-03-08
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	6-azanyl-11-methyl-2-oxidanylidene-7-[[(2~{R})-oxolan-2-yl]methyl]-~{N}-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide

MJY

MJY
Name:	4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
Formula:	C23 H26 Br F N4 O2
SMILES:	C4N(CC(C)NC(c1ccc(cc1)Br)=O)CCC3(C(NCN3c2cccc(c2)F)=O)C4
InChi:	InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
Definition date:	2019-04-08
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide

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