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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-isopentyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O3/c1-15(2)9-10-28-18-19(25(3)22(30)24-20(18)29)23-21(28)27-13-11-26(12-14-27)16-5-7-17(31-4)8-6-16/h5-8,15H,9-14H2,1-4H3,(H,24,29,30)