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

Systemtic Name: 2-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide Formula: C24H24BrN5O3S MolecularWeight: 542.44806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-8-10-18(25)11-9-17)23(27-21)34-15-19(31)26-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,26,31)