7-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione IUPAC Name: 7-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]-3-methyl-xanthine Formula: C15H13BrN4O3 MolecularWeight: 377.19272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C15H13BrN4O3/c1-8(12(21)9-3-5-10(16)6-4-9)20-7-17-13-11(20)14(22)18-15(23)19(13)2/h3-8H,1-2H3,(H,18,22,23)