3-methyl-8-(4-methylpiperidin-1-yl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(4-methylpiperidino)xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H23N5O2/c1-13-8-10-23(11-9-13)18-20-16-15(17(25)21-19(26)22(16)2)24(18)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,21,25,26)