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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-(propylthio)xanthine Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

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