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

Systemtic Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23N5O3S/c1-12(2)9-10-24-15-16(23(3)18(27)22-17(15)26)21-19(24)28-11-14(25)20-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,25)(H,22,26,27)