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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-amyl-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:

CCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23N5O3S/c1-3-4-8-11-24-15-16(23(2)18(27)22-17(15)26)21-19(24)28-12-14(25)20-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,20,25)(H,22,26,27)