3-[[2-[3,5-bis(azanyl)phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[[2-[3,5-bis(azanyl)phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxy-benzenecarbonitrile Openeye Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxy-benzonitrile CAS Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxybenzonitrile IUPAC Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxybenzonitrile Traditional Name: 3-[[2-(3,5-diaminophenoxy)-6-keto-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-5-ethoxy-benzonitrile Formula: C21H18N6O5 MolecularWeight: 434.40482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CO3)OC4=CC(=CC(=C4)N)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CO3)OC4=CC(=CC(=C4)N)N)C#N

InChI

InChI=1S/C21H18N6O5/c1-2-29-14-3-11(9-22)4-15(8-14)31-20-18-19(30-10-17(28)25-18)26-21(27-20)32-16-6-12(23)5-13(24)7-16/h3-8H,2,10,23-24H2,1H3,(H,25,28)