ethyl 4-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-2-(3-pyridylmethylsulfanyl)quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-oxo-2-(3-pyridinylmethylthio)-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-2-(3-pyridylmethylthio)quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-2-29-22(28)25-12-9-17(10-13-25)26-20(27)18-7-3-4-8-19(18)24-21(26)30-15-16-6-5-11-23-14-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3