diethyl 2-[7-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[7-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanylpropanedioate CAS Name: 2-[[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4-quinazolinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanylpropanedioate Traditional Name: 2-[[7-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]thio]malonic acid diethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC=NC2=C1C=CC(=C2)C3=NNC(=O)CC3C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC=NC2=C1C=CC(=C2)C3=NNC(=O)CC3C

InChI

InChI=1S/C20H22N4O5S/c1-4-28-19(26)17(20(27)29-5-2)30-18-13-7-6-12(9-14(13)21-10-22-18)16-11(3)8-15(25)23-24-16/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,23,25)