7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C21H26N6O3/c1-14-6-5-7-16(15(14)2)25-8-10-26(11-9-25)17(28)12-27-13-22-19-18(27)20(29)24(4)21(30)23(19)3/h5-7,13H,8-12H2,1-4H3