8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H32N6O3/c1-5-6-7-12-29-19-20(25(2)23(31)26(3)21(19)30)24-22(29)28-15-13-27(14-16-28)17-8-10-18(32-4)11-9-17/h8-11H,5-7,12-16H2,1-4H3