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

Systemtic Name: 7-methyl-3-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-piperidino-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O2/c1-21-14-15(19-17(21)22-10-6-3-7-11-22)23(18(25)20-16(14)24)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,20,24,25)