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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-isoamyl-3-methyl-xanthine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H31N5O2/c1-16(2)9-14-28-19-20(26(3)23(30)25-21(19)29)24-22(28)27-12-10-18(11-13-27)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,25,29,30)