2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(1-ethyl-3,7-dimethyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(1-ethyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C17H19N5O3S/c1-4-22-15(24)13-14(21(3)17(22)25)19-16(20(13)2)26-10-12(23)18-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,18,23)