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

Systemtic Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(2,3-dimethylphenyl)piperazino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C23H30N6O3/c1-16-7-5-8-18(17(16)2)27-11-13-28(14-12-27)19(30)9-6-10-29-15-24-21-20(29)22(31)26(4)23(32)25(21)3/h5,7-8,15H,6,9-14H2,1-4H3