ethyl 4-[4-oxidanylidene-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-oxidanylidene-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-3-pentyl-2-(2-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-3-pentyl-2-(2-pyridinylmethylthio)-7-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-amyl-4-keto-2-(2-pyridylmethylthio)quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)N=C1SCC4=CC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)N=C1SCC4=CC=CC=N4

InChI

InChI=1S/C27H33N5O4S/c1-3-5-8-13-32-25(34)22-11-10-20(24(33)30-14-16-31(17-15-30)27(35)36-4-2)18-23(22)29-26(32)37-19-21-9-6-7-12-28-21/h6-7,9-12,18H,3-5,8,13-17,19H2,1-2H3