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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19N5O3S/c1-10(2)22-13-14(21(3)16(25)20-15(13)24)19-17(22)26-9-12(23)18-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,23)(H,20,24,25)