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

Systemtic Name: 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C23H22ClN5O4S MolecularWeight: 499.96988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN5O4S/c1-27-20-19(21(31)28(2)23(27)32)29(12-14-5-4-6-15(24)11-14)22(26-20)34-13-18(30)25-16-7-9-17(33-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,25,30)