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

Systemtic Name: ethyl 4-[4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-3-pentyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-3-pentyl-2-(pyridin-4-ylmethylthio)-7-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-amyl-4-keto-2-(4-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=NC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)N=C1SCC4=CC=NC=C4

InChI

InChI=1S/C27H33N5O4S/c1-3-5-6-13-32-25(34)22-8-7-21(24(33)30-14-16-31(17-15-30)27(35)36-4-2)18-23(22)29-26(32)37-19-20-9-11-28-12-10-20/h7-12,18H,3-6,13-17,19H2,1-2H3