3-(6-azanyl-8-oxidanylidene-2-sulfanylidene-1,7-dihydropurin-9-yl)-3-phenyl-propanamide

Systemtic Name: 3-(6-azanyl-8-oxidanylidene-2-sulfanylidene-1,7-dihydropurin-9-yl)-3-phenyl-propanamide Openeye Name: 3-(6-amino-8-oxo-2-thioxo-1,7-dihydropurin-9-yl)-3-phenyl-propanamide CAS Name: 3-(6-amino-8-oxo-2-sulfanylidene-1,7-dihydropurin-9-yl)-3-phenylpropanamide IUPAC Name: 3-(6-amino-8-oxo-2-sulfanylidene-1,7-dihydropurin-9-yl)-3-phenylpropanamide Traditional Name: 3-(6-amino-8-keto-2-thioxo-1,7-dihydropurin-9-yl)-3-phenyl-propionamide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)N)N2C3=NC(=S)NC(=C3NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)N)N2C3=NC(=S)NC(=C3NC2=O)N

InChI

InChI=1S/C14H14N6O2S/c15-9(21)6-8(7-4-2-1-3-5-7)20-12-10(17-14(20)22)11(16)18-13(23)19-12/h1-5,8H,6H2,(H2,15,21)(H,17,22)(H3,16,18,19,23)