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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[4-(3-phenylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[4-(3-phenylpropyl)piperazino]xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H34N6O2/c1-18(2)11-13-30-20-21(27(3)24(32)26-22(20)31)25-23(30)29-16-14-28(15-17-29)12-7-10-19-8-5-4-6-9-19/h4-6,8-9,18H,7,10-17H2,1-3H3,(H,26,31,32)