N-[4-[2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[4-[1-oxo-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetyl]phenyl]acetamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C15H13N5O3S/c1-8(21)18-10-4-2-9(3-5-10)11(22)6-24-15-19-13-12(14(23)20-15)16-7-17-13/h2-5,7H,6H2,1H3,(H,18,21)(H2,16,17,19,20,23)