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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

InChI

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