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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(isopropylthio)-3-methyl-xanthine Formula: C16H17BrN4O2S MolecularWeight: 409.30078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H17BrN4O2S/c1-9(2)24-16-18-13-12(14(22)19-15(23)20(13)3)21(16)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H,19,22,23)