methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-3-piperonyl-2-(4-pyridylmethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19N3O5S/c1-30-23(29)17-3-4-18-19(11-17)26-24(33-13-15-6-8-25-9-7-15)27(22(18)28)12-16-2-5-20-21(10-16)32-14-31-20/h2-11H,12-14H2,1H3