methyl 3-[[4-[3-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-[3-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-[3-oxo-4-(2-pyridylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[3-oxo-4-(2-pyridinylmethyl)-1,4-benzoxazin-6-yl]-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[3-keto-4-(2-pyridylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CC=CC=N5

InChI

InChI=1S/C26H21N5O4/c1-34-25(33)18-5-4-7-19(13-18)29-26-28-12-10-21(30-26)17-8-9-23-22(14-17)31(24(32)16-35-23)15-20-6-2-3-11-27-20/h2-14H,15-16H2,1H3,(H,28,29,30)