3-[(6-azanyl-7H-purin-8-yl)sulfanyl]propanoic acid; pyridine-3-carboxamide

Systemtic Name: 3-[(6-azanyl-7H-purin-8-yl)sulfanyl]propanoic acid; pyridine-3-carboxamide Openeye Name: 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid; pyridine-3-carboxamide CAS Name: 3-[(6-amino-7H-purin-8-yl)thio]propanoic acid; 3-pyridinecarboxamide IUPAC Name: 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid; pyridine-3-carboxamide Traditional Name: 3-[(6-amino-7H-purin-8-yl)thio]propionic acid; nicotinamide Formula: C14H15N7O3S MolecularWeight: 361.379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(C(=N1)N)NC(=N2)SCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(C(=N1)N)NC(=N2)SCCC(=O)O

InChI

InChI=1S/C8H9N5O2S.C6H6N2O/c9-6-5-7(11-3-10-6)13-8(12-5)16-2-1-4(14)15;7-6(9)5-2-1-3-8-4-5/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13);1-4H,(H2,7,9)