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2-[(2-azanyl-4-chloranyl-1H-purin-9-yl)amino]-4-sulfanyl-butanoic acid

2-[(2-azanyl-4-chloranyl-1H-purin-9-yl)amino]-4-sulfanyl-butanoic acid

Systemtic Name:2-[(2-azanyl-4-chloranyl-1H-purin-9-yl)amino]-4-sulfanyl-butanoic acid
Openeye Name:2-[(2-amino-4-chloro-1H-purin-9-yl)amino]-4-sulfanyl-butanoic acid
CAS Name:2-[(2-amino-4-chloro-1H-purin-9-yl)amino]-4-mercaptobutanoic acid
IUPAC Name:2-[(2-amino-4-chloro-1H-purin-9-yl)amino]-4-sulfanylbutanoic acid
Traditional Name:2-[(2-amino-4-chloro-1H-purin-9-yl)amino]-4-mercapto-butyric acid
Formula: C9H13ClN6O2S
MolecularWeight: 304.75652
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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(N=C(N1)N)(N(C=N2)NC(CCS)C(=O)O)Cl


Isomeric SMILES

C1=C2C(N=C(N1)N)(N(C=N2)NC(CCS)C(=O)O)Cl


InChI

InChI=1S/C9H13ClN6O2S/c10-9-6(3-12-8(11)14-9)13-4-16(9)15-5(1-2-19)7(17)18/h3-5,15,19H,1-2H2,(H,17,18)(H3,11,12,14)


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