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

Systemtic Name: 3-[[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(3-keto-4-methyl-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C20H15N5O2 MolecularWeight: 357.3654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H15N5O2/c1-25-17-10-14(5-6-18(17)27-12-19(25)26)16-7-8-22-20(24-16)23-15-4-2-3-13(9-15)11-21/h2-10H,12H2,1H3,(H,22,23,24)