methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-7-cyclopropyl-1-ethyl-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-7-cyclopropyl-1-ethyl-4-keto-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N=C1SCC4=CC=CC=C4Cl

Isomeric SMILES

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N=C1SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-3-25-18-17(14(20(27)28-2)10-16(23-18)12-8-9-12)19(26)24-21(25)29-11-13-6-4-5-7-15(13)22/h4-7,10,12H,3,8-9,11H2,1-2H3