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

Systemtic Name: 3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]-7H-purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]-7H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7H-purine-2,6-quinone Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CCC(CC3)CC4=CC=CC=C4

InChI

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