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

Systemtic Name: 2-(3-cyclohexyl-7-morpholin-4-ylcarbonyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-7-(morpholine-4-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-7-[4-morpholinyl(oxo)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-7-(morpholine-4-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-4-keto-7-(morpholine-4-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC#N

InChI

InChI=1S/C21H24N4O3S/c22-8-13-29-21-23-18-14-15(19(26)24-9-11-28-12-10-24)6-7-17(18)20(27)25(21)16-4-2-1-3-5-16/h6-7,14,16H,1-5,9-13H2