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

Systemtic Name: 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]thio]-N-methylacetamide IUPAC Name: 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]sulfanyl-N-methylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]thio]-N-methyl-acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC(=O)CSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H21N5O3S/c1-22-16(27)12-30-20-23-18-17(19(28)25(3)21(29)24(18)2)26(20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12H2,1-3H3,(H,22,27)