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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-isobutyl-3-methyl-xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29N5O2/c1-15(2)14-27-18-19(25(3)22(29)24-20(18)28)23-21(27)26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,24,28,29)