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IUA

IUA
Name:	2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine
Formula:	C13 H12 Cl N5
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3)cnc12
InChi:	InChI=1S/C13H12ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine

IUH

IUH
Name:	2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine
Formula:	C12 H11 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12
InChi:	InChI=1S/C12H11ClN6/c1-14-10-9-11(18-12(13)17-10)19(7-16-9)6-8-2-4-15-5-3-8/h2-5,7H,6H2,1H3,(H,14,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine

IUQ

IUQ
Name:	2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine
Formula:	C11 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3
InChi:	InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine

IUZ

IUZ
Name:	2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine
Formula:	C13 H18 Cl N5
SMILES:	CNc1nc(Cl)nc2n(CC3CCCCC3)cnc12
InChi:	InChI=1S/C13H18ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine

IV6

IV6
Name:	3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid
Formula:	C13 H10 Cl N5 O2
SMILES:	CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O
InChi:	InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid

IVI

IVI
Name:	2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide
Formula:	C14 H13 Cl N6 O
SMILES:	CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12
InChi:	InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide

IVR

IVR
Name:	9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Formula:	C13 H13 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3N)cnc12
InChi:	InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine

IW0

IW0
Name:	~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Formula:	C14 H15 Cl N6 O2 S
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12
InChi:	InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19)
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]methanesulfonamide

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

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

UYX

UYX
Name:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione
Formula:	C22 H22 F N3 O3
SMILES:	Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O
InChi:	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
Definition date:	2023-06-27
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione

TT3

TT3
Name:	2-(3-fluorophenoxy)-N,N-dimethylacetamide
Formula:	C10 H12 F N O2
SMILES:	CN(C)C(=O)COc1cccc(F)c1
InChi:	InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-(3-fluorophenoxy)-N,N-dimethylacetamide

KG0

KG0
Name:	(4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide
Formula:	C20 H27 N3 O5 S
SMILES:	CCC[CH](NC(=O)[C]1(C)CSC(=N1)C(C)=NO)C2=CC(=CC(=O)O2)OCC3CC3
InChi:	InChI=1S/C20H27N3O5S/c1-4-5-15(16-8-14(9-17(24)28-16)27-10-13-6-7-13)21-19(25)20(3)11-29-18(22-20)12(2)23-26/h8-9,13,15,26H,4-7,10-11H2,1-3H3,(H,21,25)/b23-12+/t15-,20+/m1/s1
Definition date:	2022-05-25
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4~{R})-~{N}-[(1~{R})-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(~{E})-~{C}-methyl-~{N}-oxidanyl-carbonimidoyl]-5~{H}-1,3-thiazole-4-carboxamide

TU6

TU6
Name:	[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
Formula:	C11 H17 N3 O
SMILES:	Cc1cc(nc(CO)n1)N1CCCCC1
InChi:	InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol

U9R

U9R
Name:	(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)
Formula:	C8 H11 N3 O2 S
SMILES:	O=C(Nc1cnns1)C1OCCC1C
InChi:	InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1
Definition date:	2023-08-31
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)

TV9

TV9
Name:	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
Formula:	C11 H14 N2 O
SMILES:	CC(NC(=O)C1CC1)c1cccnc1
InChi:	InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide

TVR

TVR
Name:	(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
Formula:	C10 H12 F N3 O
SMILES:	Fc1cccnc1N1CC(=O)NC(C)C1
InChi:	InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one

UO6

UO6
Name:	4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid
Formula:	C14 H14 N3 O12 P S2
SMILES:	Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O
InChi:	InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+
Synonyms:	Ppads
Definition date:	2023-06-10
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid

V3C

V3C
Name:	Trans-4-athyl-L-proline
Formula:	C7 H13 N O2
SMILES:	CC[CH]1CN[CH](C1)C(O)=O
InChi:	InChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
Synonyms:	(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid
Definition date:	2023-02-21
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S},4~{R})-4-ethylpyrrolidine-2-carboxylic acid

TWC

TWC
Name:	2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Formula:	C6 H7 F3 N2 O
SMILES:	FC(F)(F)C=1CC(=O)N(CC)N=1
InChi:	InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

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