methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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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)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CCC4=CCCCC4

InChI

InChI=1S/C24H25N3O3S/c1-30-23(29)19-7-8-20-21(15-19)26-24(31-16-18-9-12-25-13-10-18)27(22(20)28)14-11-17-5-3-2-4-6-17/h5,7-10,12-13,15H,2-4,6,11,14,16H2,1H3