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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(3-pyridylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(3-pyridinylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-3-piperonyl-2-(3-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=CN=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

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