8-bromanyl-1,3-dimethyl-9-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 8-bromo-9-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C20H23BrN6O3 MolecularWeight: 475.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C20H23BrN6O3/c1-13-5-4-6-14(11-13)25-7-9-26(10-8-25)15(28)12-27-17-16(22-19(27)21)18(29)24(3)20(30)23(17)2/h4-6,11H,7-10,12H2,1-3H3