4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-2-methoxy-benzenecarbonitrile Openeye Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methoxy-benzonitrile CAS Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-methoxybenzonitrile IUPAC Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methoxybenzonitrile Traditional Name: 4-[3-amino-2,6-diketo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methoxy-benzonitrile Formula: C13H9F3N4O3 MolecularWeight: 326.23077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)N)C(F)(F)F)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)N)C(F)(F)F)C#N

InChI

InChI=1S/C13H9F3N4O3/c1-23-9-4-8(3-2-7(9)6-17)19-11(21)5-10(13(14,15)16)20(18)12(19)22/h2-5H,18H2,1H3