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IWF

IWF
Name:	2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine
Formula:	C14 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12
InChi:	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine

IWM

IWM
Name:	9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Formula:	C14 H12 Cl F2 N5
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12
InChi:	InChI=1S/C14H12ClF2N5/c1-18-12-10-13(21-14(15)20-12)22(7-19-10)6-8-4-2-3-5-9(8)11(16)17/h2-5,7,11H,6H2,1H3,(H,18,20,21)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine

IWV

IWV
Name:	~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
Formula:	C15 H12 Cl F3 N6 O
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3NC(=O)C(F)(F)F)cnc12
InChi:	InChI=1S/C15H12ClF3N6O/c1-20-11-10-12(24-14(16)23-11)25(7-21-10)6-8-4-2-3-5-9(8)22-13(26)15(17,18)19/h2-5,7H,6H2,1H3,(H,22,26)(H,20,23,24)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide

IYQ

IYQ
Name:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide
Formula:	C14 H13 Cl N6 O
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12
InChi:	InChI=1S/C14H13ClN6O/c1-17-12-10-13(20-14(15)19-12)21(7-18-10)6-8-3-2-4-9(5-8)11(16)22/h2-5,7H,6H2,1H3,(H2,16,22)(H,17,19,20)
Definition date:	2023-08-04
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide

IZJ

IZJ
Name:	methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
Formula:
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)C(=O)OC)cnc12
InChi:	InChI=1S/C15H14ClN5O2/c1-17-12-11-13(20-15(16)19-12)21(8-18-11)7-9-4-3-5-10(6-9)14(22)23-2/h3-6,8H,7H2,1-2H3,(H,17,19,20)
Definition date:	2023-08-04
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate

J7L

J7L
Name:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide
Formula:	C15 H15 Cl N6 O
SMILES:	CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1
InChi:	InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide

J9B

J9B
Name:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine
Formula:	C13 H11 Cl2 N5
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12
InChi:	InChI=1S/C13H11Cl2N5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine

JA0

JA0
Name:	9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine
Formula:	C13 H11 Cl F N5
SMILES:	CNc1nc(F)nc2n(Cc3cccc(Cl)c3)cnc12
InChi:	InChI=1S/C13H11ClFN5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine

JBD

JBD
Name:	~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Formula:	C14 H14 Cl2 N6 O2 S
SMILES:	CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S](C)(=O)=O)cnc12
InChi:	InChI=1S/C14H14Cl2N6O2S/c1-17-12-11-13(20-14(16)19-12)22(7-18-11)6-8-5-9(15)3-4-10(8)21-25(2,23)24/h3-5,7,21H,6H2,1-2H3,(H,17,19,20)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide

JHU

JHU
Name:	[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Formula:	C14 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(Cc3ccc(CO)cc3)cnc12
InChi:	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol

JIB

JIB
Name:	4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid
Formula:	C14 H12 Cl N5 O2
SMILES:	CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12
InChi:	InChI=1S/C14H12ClN5O2/c1-16-11-10-12(19-14(15)18-11)20(7-17-10)6-8-2-4-9(5-3-8)13(21)22/h2-5,7H,6H2,1H3,(H,21,22)(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid

JII

JII
Name:	2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine
Formula:	C14 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12
InChi:	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-4-3-5-10(6-9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine

JIR

JIR
Name:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile
Formula:	C14 H11 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12
InChi:	InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile

JNC

JNC
Name:	5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C13 H11 Cl2 N5
SMILES:	CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12
InChi:	InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)
Definition date:	2023-08-08
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

JO0

JO0
Name:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine
Formula:	C15 H15 Cl2 N5
SMILES:	Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1
InChi:	InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21)
Definition date:	2023-08-08
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine

K1O

K1O
Name:	2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine
Formula:	C14 H12 Cl N9
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)c4[nH]nnn4)cnc12
InChi:	InChI=1S/C14H12ClN9/c1-16-12-10-13(19-14(15)18-12)24(7-17-10)6-8-3-2-4-9(5-8)11-20-22-23-21-11/h2-5,7H,6H2,1H3,(H,16,18,19)(H,20,21,22,23)
Definition date:	2023-08-10
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-[[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine

SRM

SRM
Name:	SIROHEME
Formula:	C42 H44 Fe N4 O16
SMILES:	O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O
InChi:	InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	1999-07-08
Last modified:	2023-11-29
Identifier:	{3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron

EXA

EXA
Name:	N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine
Formula:	C17 H27 N4 O9 P
SMILES:	Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1
Definition date:	2017-03-01
Last modified:	2023-11-27
Release date:	2018-03-07
Identifier:	N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine

TWR

TWR
Name:	2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
Formula:	C10 H13 F N2 O2
SMILES:	CN(C)C(=O)COc1ccc(N)c(F)c1
InChi:	InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide

TJ0

TJ0
Name:	4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
Formula:	C12 H11 F3 N2 O2
SMILES:	O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F
InChi:	InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[2-(trifluoromethyl)benzoyl]piperazin-2-one

K43

K43
Name:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
Formula:	C22 H26 F2 N10 O8 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1
Synonyms:	3',3'-c-di-(2'F,2'dAMP)
Definition date:	2022-05-19
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine

VLF

VLF
Name:	4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide
Formula:	C17 H19 N O4 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO
InChi:	InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1
Definition date:	2023-03-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide

X1B

X1B
Name:	{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde
Formula:	C18 H19 N5 O4
SMILES:	O=C1C(/N=C(C(N)Cc2cncn2C)N1CC(O)=O)=C/c1ccc(O)cc1
InChi:	InChI=1S/C18H19N5O4/c1-22-10-20-8-12(22)7-14(19)17-21-15(18(27)23(17)9-16(25)26)6-11-2-4-13(24)5-3-11/h2-6,8,10,14,24H,7,9,19H2,1H3,(H,25,26)/b15-6-/t14-/m0/s1
Synonyms:	CHROMOPHORE (N1-METHYLATED HIS-TYR-GLY)
Definition date:	2023-10-18
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TKI

TKI
Name:	2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
Formula:	C10 H16 N4 O2
SMILES:	CCc1nc(CC)nc(n1)N(C)CC(O)=O
InChi:	InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
Synonyms:	2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)
Definition date:	2023-01-06
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid

SQT

SQT
Name:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
Formula:	C16 H19 N5
SMILES:	N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

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