7-(2-methoxyethyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-morpholino-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(2-keto-2-morpholino-ethyl)-7-(2-methoxyethyl)xanthine Formula: C21H25N5O5 MolecularWeight: 427.4537

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)N4CCOCC4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H25N5O5/c1-30-10-7-24-15-22-19-18(24)20(28)26(14-17(27)23-8-11-31-12-9-23)21(29)25(19)13-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3