6-[2,3-bis(oxidanyl)propoxymethyl]-5-(2-chloranyl-5-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidine-4-carboxamide

Systemtic Name: 6-[2,3-bis(oxidanyl)propoxymethyl]-5-(2-chloranyl-5-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidine-4-carboxamide Openeye Name: 5-(2-chloro-5-methoxy-phenoxy)-6-(2,3-dihydroxypropoxymethyl)-2-morpholino-pyrimidine-4-carboxamide CAS Name: 5-(2-chloro-5-methoxyphenoxy)-6-(2,3-dihydroxypropoxymethyl)-2-(4-morpholinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-(2-chloro-5-methoxyphenoxy)-6-(2,3-dihydroxypropoxymethyl)-2-morpholin-4-ylpyrimidine-4-carboxamide Traditional Name: 5-(2-chloro-5-methoxy-phenoxy)-6-(glyceryloxymethyl)-2-morpholino-pyrimidine-4-carboxamide Formula: C20H25ClN4O7 MolecularWeight: 468.8881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2COCC(CO)O)N3CCOCC3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2COCC(CO)O)N3CCOCC3)C(=O)N

InChI

InChI=1S/C20H25ClN4O7/c1-29-13-2-3-14(21)16(8-13)32-18-15(11-31-10-12(27)9-26)23-20(24-17(18)19(22)28)25-4-6-30-7-5-25/h2-3,8,12,26-27H,4-7,9-11H2,1H3,(H2,22,28)