3-[[4-(2-azanyl-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[4-(2-azanyl-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(2-amino-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(2-amino-5-cyanophenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(2-amino-5-cyanophenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(2-amino-5-cyano-phenoxy)-6-keto-7-(2-mesylethyl)-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C25H24N6O7S MolecularWeight: 552.55906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)N)NC(=O)C(O3)CCS(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)N)NC(=O)C(O3)CCS(=O)(=O)C

InChI

InChI=1S/C25H24N6O7S/c1-31(2)24(33)15-5-4-6-16(12-15)36-25-29-22-20(28-21(32)18(37-22)9-10-39(3,34)35)23(30-25)38-19-11-14(13-26)7-8-17(19)27/h4-8,11-12,18H,9-10,27H2,1-3H3,(H,28,32)