6-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-methoxyanilino)-4-pyrimidinyl]-4-(2-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[2-(m-anisidino)pyrimidin-4-yl]-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CC=CC=N5

InChI

InChI=1S/C25H21N5O3/c1-32-20-7-4-6-18(14-20)28-25-27-12-10-21(29-25)17-8-9-23-22(13-17)30(24(31)16-33-23)15-19-5-2-3-11-26-19/h2-14H,15-16H2,1H3,(H,27,28,29)