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

Systemtic Name: propan-2-yl 5-(6-azanyl-5-cyano-2-oxidanylidene-pyrimidin-1-yl)-2-chloranyl-4-fluoranyl-benzoate Openeye Name: isopropyl 5-(6-amino-5-cyano-2-oxo-pyrimidin-1-yl)-2-chloro-4-fluoro-benzoate CAS Name: 5-(6-amino-5-cyano-2-oxo-1-pyrimidinyl)-2-chloro-4-fluorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(6-amino-5-cyano-2-oxopyrimidin-1-yl)-2-chloro-4-fluorobenzoate Traditional Name: 5-(6-amino-5-cyano-2-keto-pyrimidin-1-yl)-2-chloro-4-fluoro-benzoic acid isopropyl ester Formula: C15H12ClFN4O3 MolecularWeight: 350.732183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=C(C=NC2=O)C#N)N

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=C(C=NC2=O)C#N)N

InChI

InChI=1S/C15H12ClFN4O3/c1-7(2)24-14(22)9-3-12(11(17)4-10(9)16)21-13(19)8(5-18)6-20-15(21)23/h3-4,6-7H,19H2,1-2H3