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

Systemtic Name: 2-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2,6-diketo-3-methyl-7-nonyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H31N5O3S/c1-3-4-5-6-7-8-12-15-28-19-20(27(2)22(31)26-21(19)30)25-23(28)32-16-18(29)24-17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,24,29)(H,26,30,31)