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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2/c1-16-6-7-18(14-17(16)2)27-12-10-26(11-13-27)8-5-9-28-15-23-20-19(28)21(29)25(4)22(30)24(20)3/h6-7,14-15H,5,8-13H2,1-4H3