methyl 4-oxidanylidene-3-phenethyl-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate

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

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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)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-30-23(29)19-9-10-20-21(14-19)26-24(31-16-18-8-5-12-25-15-18)27(22(20)28)13-11-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13,16H2,1H3