8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-(phenylsulfanylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-(phenylsulfanylmethyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-3-isobutyl-1-(phenylsulfanylmethyl)-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-[(phenylthio)methyl]-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-(phenylsulfanylmethyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-[(phenylthio)methyl]-7H-purine-2,6-quinone Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CSC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CSC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O2S/c1-15(2)13-27-21-20(25-19(26-21)12-16-8-10-17(24)11-9-16)22(29)28(23(27)30)14-31-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H,25,26)