2-[(2-azanyl-5H-purin-6-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]butanedioic acid CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]butanedioic acid IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]succinic acid Formula: C9H9N5O4S MolecularWeight: 283.26386

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=C(N=C2SC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=NC2C(=N1)N=C(N=C2SC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C9H9N5O4S/c10-9-13-6-5(11-2-12-6)7(14-9)19-3(8(17)18)1-4(15)16/h2-3,5H,1H2,(H,15,16)(H,17,18)(H2,10,11,12,13)