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

Systemtic Name: N-cyclopentyl-2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]thio]acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N5O3S/c1-28-22-21(23(32)29(2)25(28)33)30(14-17-10-7-9-16-8-3-6-13-19(16)17)24(27-22)34-15-20(31)26-18-11-4-5-12-18/h3,6-10,13,18H,4-5,11-12,14-15H2,1-2H3,(H,26,31)