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

Systemtic Name: 2-[3,7-dimethyl-1-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-isopentyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3,7-dimethyl-1-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3,7-dimethyl-1-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[(1-isoamyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-13(2)10-11-25-18(27)16-17(24(4)20(25)28)22-19(23(16)3)29-12-15(26)21-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,21,26)