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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(piperidinomethyl)xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O2/c1-22-17-16(18(25)21-19(22)26)24(12-14-8-4-2-5-9-14)15(20-17)13-23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,25,26)