1-butyl-6-chloranyl-7-methyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: 1-butyl-6-chloranyl-7-methyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: 1-butyl-6-chloro-7-methyl-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-butyl-6-chloro-7-methyl-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 1-butyl-6-chloro-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-butyl-6-chloro-4-keto-7-methyl-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate Formula: C13H13ClN3O3S- MolecularWeight: 326.77862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=C(C(=C2C(=O)NC1=S)C(=O)[O-])Cl)C

Isomeric SMILES

CCCCN1C2=NC(=C(C(=C2C(=O)NC1=S)C(=O)[O-])Cl)C

InChI

InChI=1S/C13H14ClN3O3S/c1-3-4-5-17-10-8(11(18)16-13(17)21)7(12(19)20)9(14)6(2)15-10/h3-5H2,1-2H3,(H,19,20)(H,16,18,21)/p-1