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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H31N5O2/c1-3-4-8-13-28-19-20(26(2)23(30)25-21(19)29)24-22(28)27-14-11-18(12-15-27)16-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3,(H,25,29,30)