2-(3-cyclohexyl-4-oxidanylidene-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-4-oxo-7-[oxo(1-piperidinyl)methyl]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-4-keto-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC#N

InChI

InChI=1S/C22H26N4O2S/c23-11-14-29-22-24-19-15-16(20(27)25-12-5-2-6-13-25)9-10-18(19)21(28)26(22)17-7-3-1-4-8-17/h9-10,15,17H,1-8,12-14H2