3,7-dimethyl-1-[5-[4-(3-methylphenyl)piperazin-1-yl]pentyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-[4-(3-methylphenyl)piperazin-1-yl]pentyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[5-[4-(m-tolyl)piperazin-1-yl]pentyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[5-[4-(3-methylphenyl)-1-piperazinyl]pentyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[5-[4-(3-methylphenyl)piperazin-1-yl]pentyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[5-[4-(m-tolyl)piperazino]pentyl]xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

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