ethyl 3-[3-[[2-(2-azanyl-5-cyano-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[[2-(2-azanyl-5-cyano-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoate Openeye Name: ethyl 3-[3-[[2-(2-amino-5-cyano-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[3-[[2-(2-amino-5-cyanophenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[2-(2-amino-5-cyanophenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[3-[[2-(2-amino-5-cyano-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-keto-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propionic acid ethyl ester Formula: C32H31N9O6 MolecularWeight: 637.64524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C2NCCC=N2)OC3=NC(=NC4=C3NC(=O)C(O4)CC5=CN=CN5)OC6=C(C=CC(=C6)C#N)N

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C2NCCC=N2)OC3=NC(=NC4=C3NC(=O)C(O4)CC5=CN=CN5)OC6=C(C=CC(=C6)C#N)N

InChI

InChI=1S/C32H31N9O6/c1-2-44-26(42)7-5-18-10-20(28-36-8-3-9-37-28)13-22(11-18)45-30-27-31(46-25(29(43)39-27)14-21-16-35-17-38-21)41-32(40-30)47-24-12-19(15-33)4-6-23(24)34/h4,6,8,10-13,16-17,25,28,37H,2-3,5,7,9,14,34H2,1H3,(H,35,38)(H,39,43)