7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-3-methyl-8-(4-methylpiperazino)xanthine Formula: C19H21BrN6O3 MolecularWeight: 461.31244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H21BrN6O3/c1-23-7-9-25(10-8-23)18-21-16-15(17(28)22-19(29)24(16)2)26(18)11-14(27)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3,(H,22,28,29)