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

Systemtic Name: 1,3,7-trimethyl-8-[[1-(phenylmethyl)piperidin-4-yl]methoxymethyl]purine-2,6-dione Openeye Name: 8-[(1-benzyl-4-piperidyl)methoxymethyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[1-(phenylmethyl)-4-piperidinyl]methoxymethyl]purine-2,6-dione IUPAC Name: 8-[(1-benzylpiperidin-4-yl)methoxymethyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(1-benzyl-4-piperidyl)methoxymethyl]-1,3,7-trimethyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O3/c1-24-18(23-20-19(24)21(28)26(3)22(29)25(20)2)15-30-14-17-9-11-27(12-10-17)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3