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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylbenzyl)purin-8-yl]thio]-N-homoveratryl-acetamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C27H31N5O5S/c1-17-8-6-7-9-19(17)15-32-23-24(30(2)27(35)31(3)25(23)34)29-26(32)38-16-22(33)28-13-12-18-10-11-20(36-4)21(14-18)37-5/h6-11,14H,12-13,15-16H2,1-5H3,(H,28,33)