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

Systemtic Name: 2-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[7-(3,4-diethoxybenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-mesityl-acetamide Formula: C29H35N5O5S MolecularWeight: 565.6837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C)N(C(=O)N(C3=O)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C)N(C(=O)N(C3=O)C)C)OCC

InChI

InChI=1S/C29H35N5O5S/c1-8-38-21-11-10-20(14-22(21)39-9-2)15-34-25-26(32(6)29(37)33(7)27(25)36)31-28(34)40-16-23(35)30-24-18(4)12-17(3)13-19(24)5/h10-14H,8-9,15-16H2,1-7H3,(H,30,35)