1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[4-(2-methoxy-5-methyl-benzyl)piperazino]propyl]-3,7-dimethyl-xanthine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O3/c1-17-6-7-19(32-4)18(14-17)15-28-12-10-27(11-13-28)8-5-9-29-22(30)20-21(24-16-25(20)2)26(3)23(29)31/h6-7,14,16H,5,8-13,15H2,1-4H3