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

Systemtic Name: methyl 1-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 1-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 1-[[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=NN(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C19H16N4O4S/c1-26-18(25)16-8-9-22(21-16)12-28-19-20-15-7-3-2-6-14(15)17(24)23(19)11-13-5-4-10-27-13/h2-10H,11-12H2,1H3