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

Systemtic Name: ethyl 4-[3-cyclohexyl-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-cyclohexyl-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylthio)-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-cyclohexyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)C5CCCCC5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)C5CCCCC5

InChI

InChI=1S/C28H33N5O4S/c1-2-37-28(36)32-16-14-31(15-17-32)25(34)21-8-9-23-24(18-21)30-27(38-19-20-10-12-29-13-11-20)33(26(23)35)22-6-4-3-5-7-22/h8-13,18,22H,2-7,14-17,19H2,1H3