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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-(2-methylallyl)xanthine Formula: C22H27N5O2 MolecularWeight: 393.48208

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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/C22H27N5O2/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/h4-8,17H,1,9-14H2,2-3H3,(H,24,28,29)