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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O3/c1-14(2)13-27-17-18(24(3)21(29)23-19(17)28)22-20(27)26-11-9-25(10-12-26)15-5-7-16(30-4)8-6-15/h5-8,14H,9-13H2,1-4H3,(H,23,28,29)