1-[3-(4-bromophenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(4-bromophenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(4-bromophenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-bromophenyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(4-bromophenyl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-bromophenyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=C(C=C3)Br

InChI

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