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

Systemtic Name: 3,7-dimethyl-1-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[4-(m-tolylmethyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[4-(3-methylbenzyl)piperazino]propyl]xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C22H30N6O2/c1-17-6-4-7-18(14-17)15-27-12-10-26(11-13-27)8-5-9-28-21(29)19-20(23-16-24(19)2)25(3)22(28)30/h4,6-7,14,16H,5,8-13,15H2,1-3H3