methyl 3-(furan-2-ylmethyl)-2-(5-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-(5-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[(5-nitro-2-pyridyl)sulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[(5-nitro-2-pyridinyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-(5-nitropyridin-2-yl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[(5-nitro-2-pyridyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H14N4O6S MolecularWeight: 438.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3=NC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3=NC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C20H14N4O6S/c1-29-19(26)12-4-6-15-16(9-12)22-20(23(18(15)25)11-14-3-2-8-30-14)31-17-7-5-13(10-21-17)24(27)28/h2-10H,11H2,1H3