ethyl 4-oxidanylidene-3-(phenylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-(phenylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxylic acid ethyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-2-30-23(29)19-8-9-20-21(14-19)26-24(31-16-18-10-12-25-13-11-18)27(22(20)28)15-17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3