2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H27ClN4O3S/c1-2-30-12-6-11-27-20(29)17-8-7-16(23)13-18(17)25-21(27)31-14-19(28)26-22(15-24)9-4-3-5-10-22/h7-8,13H,2-6,9-12,14H2,1H3,(H,26,28)