N-(1,3-benzodioxol-5-ylmethyl)-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-piperonyl-acetamide Formula: C24H22ClN5O5S MolecularWeight: 527.97998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H22ClN5O5S/c1-28-21-20(22(32)29(2)24(28)33)30(11-14-3-6-16(25)7-4-14)23(27-21)36-12-19(31)26-10-15-5-8-17-18(9-15)35-13-34-17/h3-9H,10-13H2,1-2H3,(H,26,31)