7-(2-methoxyethyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(2-keto-2-piperidino-ethyl)-7-(2-methoxyethyl)xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H27N5O4/c1-31-13-12-25-16-23-20-19(25)21(29)27(15-18(28)24-10-6-3-7-11-24)22(30)26(20)14-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3