2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC=C

InChI

InChI=1S/C17H17N5O3S/c1-3-9-22-13-14(21(2)16(25)20-15(13)24)19-17(22)26-10-12(23)18-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,23)(H,20,24,25)