methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-cyclopropyl-7-methyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-cyclopropyl-7-methyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-cyclopropyl-7-methyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1-cyclopropyl-7-methyl-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-cyclopropyl-7-methyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1-cyclopropyl-4-keto-7-methyl-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)OC)C(=O)N=C(N2C3CC3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)OC)C(=O)N=C(N2C3CC3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H17ClFN3O3S/c1-10-8-12(19(27)28-2)16-17(23-10)25(11-6-7-11)20(24-18(16)26)29-9-13-14(21)4-3-5-15(13)22/h3-5,8,11H,6-7,9H2,1-2H3