4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-5-chloranyl-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-5-chloranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-chloro-2-methyl-benzonitrile CAS Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-5-chloro-2-methylbenzonitrile IUPAC Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-chloro-2-methylbenzonitrile Traditional Name: 4-[3-amino-2,6-diketo-4-(trifluoromethyl)pyrimidin-1-yl]-5-chloro-2-methyl-benzonitrile Formula: C13H8ClF3N4O2 MolecularWeight: 344.67643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)Cl)N2C(=O)C=C(N(C2=O)N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C#N)Cl)N2C(=O)C=C(N(C2=O)N)C(F)(F)F

InChI

InChI=1S/C13H8ClF3N4O2/c1-6-2-9(8(14)3-7(6)5-18)20-11(22)4-10(13(15,16)17)21(19)12(20)23/h2-4H,19H2,1H3