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

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(3-methylpiperidino)xanthine Formula: C21H24BrN5O3 MolecularWeight: 474.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H24BrN5O3/c1-13-5-4-10-26(11-13)20-23-18-17(19(29)25(3)21(30)24(18)2)27(20)12-16(28)14-6-8-15(22)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3