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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-1-(2-cyclopropyl-2-oxidanylidene-ethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-bromophenyl)methyl]-1-(2-cyclopropyl-2-oxo-ethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-bromophenyl)methyl]-1-(2-cyclopropyl-2-oxoethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-1-(2-cyclopropyl-2-oxoethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-bromobenzyl)-1-(2-cyclopropyl-2-keto-ethyl)-3-methyl-xanthine Formula: C23H27BrN6O3 MolecularWeight: 515.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3CC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3CC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

InChI

InChI=1S/C23H27BrN6O3/c1-27-20-19(21(32)30(23(27)33)13-18(31)14-8-9-14)29(11-15-5-2-3-7-17(15)24)22(26-20)28-10-4-6-16(25)12-28/h2-3,5,7,14,16H,4,6,8-13,25H2,1H3