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

Systemtic Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(2,3-dimethylphenyl)piperazino]butyl]-1,3-dimethyl-xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C23H32N6O2/c1-17-8-7-9-19(18(17)2)28-14-12-27(13-15-28)10-5-6-11-29-16-24-21-20(29)22(30)26(4)23(31)25(21)3/h7-9,16H,5-6,10-15H2,1-4H3