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

Systemtic Name: 6-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-methoxyanilino)-4-pyrimidinyl]-4-(3-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[2-(m-anisidino)pyrimidin-4-yl]-4-(3-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=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CN=CC=C5

InChI

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