N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]acetamide CAS Name: N-[4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]acetamide IUPAC Name: N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]acetamide Traditional Name: N-[4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H17N5O3S/c1-9(22)17-10-5-7-11(8-6-10)25-15-18-13-12(19(15)2)14(23)21(4)16(24)20(13)3/h5-8H,1-4H3,(H,17,22)