2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-ethyl-ethanamide

Systemtic Name: 2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: 2-[3,7-dimethyl-2,6-dioxo-1-(p-tolylmethyl)purin-8-yl]sulfanyl-N-ethyl-acetamide CAS Name: 2-[[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-N-ethylacetamide IUPAC Name: 2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanyl-N-ethylacetamide Traditional Name: 2-[[2,6-diketo-3,7-dimethyl-1-(4-methylbenzyl)purin-8-yl]thio]-N-ethyl-acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

InChI

InChI=1S/C19H23N5O3S/c1-5-20-14(25)11-28-18-21-16-15(22(18)3)17(26)24(19(27)23(16)4)10-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,20,25)