1-butyl-7-(1-ethylpyrazol-3-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: 1-butyl-7-(1-ethylpyrazol-3-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: 1-butyl-7-(1-ethylpyrazol-3-yl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-butyl-7-(1-ethyl-3-pyrazolyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 1-butyl-7-(1-ethylpyrazol-3-yl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-butyl-7-(1-ethylpyrazol-3-yl)-4-keto-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate Formula: C17H18N5O3S- MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CC(=N2)C3=NN(C=C3)CC)C(=O)[O-])C(=O)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=CC(=N2)C3=NN(C=C3)CC)C(=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C17H19N5O3S/c1-3-5-7-22-14-13(15(23)19-17(22)26)10(16(24)25)9-12(18-14)11-6-8-21(4-2)20-11/h6,8-9H,3-5,7H2,1-2H3,(H,24,25)(H,19,23,26)/p-1