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

Systemtic Name: 1,7-dimethyl-3-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-benzyl-1,7-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,7-dimethyl-3-(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-benzyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-benzyl-1,7-dimethyl-8-piperidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)CC4=CC=CC=C4

InChI

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