methyl 1-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 1-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 1-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC(=O)C1=NN(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C17H16N4O3S/c1-24-16(23)14-8-9-20(19-14)10-25-17-18-13-5-3-2-4-12(13)15(22)21(17)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3