7-(4-chlorophenyl)-1-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 7-(4-chlorophenyl)-1-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 7-(4-chlorophenyl)-1-(3-methoxypropyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 7-(4-chlorophenyl)-1-(3-methoxypropyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(4-chlorophenyl)-1-(3-methoxypropyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 7-(4-chlorophenyl)-4-keto-1-(3-methoxypropyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC1=S

Isomeric SMILES

COCCCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC1=S

InChI

InChI=1S/C18H16ClN3O4S/c1-26-8-2-7-22-15-14(16(23)21-18(22)27)12(17(24)25)9-13(20-15)10-3-5-11(19)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,24,25)(H,21,23,27)