propan-2-yl 5-(6-azanyl-5-cyano-4-methyl-2-oxidanylidene-pyrimidin-1-yl)-2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: propan-2-yl 5-(6-azanyl-5-cyano-4-methyl-2-oxidanylidene-pyrimidin-1-yl)-2-chloranyl-4-fluoranyl-benzoate Openeye Name: isopropyl 5-(6-amino-5-cyano-4-methyl-2-oxo-pyrimidin-1-yl)-2-chloro-4-fluoro-benzoate CAS Name: 5-(6-amino-5-cyano-4-methyl-2-oxo-1-pyrimidinyl)-2-chloro-4-fluorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(6-amino-5-cyano-4-methyl-2-oxopyrimidin-1-yl)-2-chloro-4-fluorobenzoate Traditional Name: 5-(6-amino-5-cyano-2-keto-4-methyl-pyrimidin-1-yl)-2-chloro-4-fluoro-benzoic acid isopropyl ester Formula: C16H14ClFN4O3 MolecularWeight: 364.758763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C(=C1C#N)N)C2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F

Isomeric SMILES

CC1=NC(=O)N(C(=C1C#N)N)C2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F

InChI

InChI=1S/C16H14ClFN4O3/c1-7(2)25-15(23)9-4-13(12(18)5-11(9)17)22-14(20)10(6-19)8(3)21-16(22)24/h4-5,7H,20H2,1-3H3