7-[(3-bromophenyl)methyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(isobutylthio)-3-methyl-xanthine Formula: C17H19BrN4O2S MolecularWeight: 423.32736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19BrN4O2S/c1-10(2)9-25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)8-11-5-4-6-12(18)7-11/h4-7,10H,8-9H2,1-3H3,(H,20,23,24)