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

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-4-keto-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC#N

InChI

InChI=1S/C21H24N4O2S/c22-10-13-28-21-23-18-14-15(19(26)24-11-4-5-12-24)8-9-17(18)20(27)25(21)16-6-2-1-3-7-16/h8-9,14,16H,1-7,11-13H2