(2R)-N-(1-cyanocyclohexyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H26N4O2S/c1-14(2)25-19(27)16-9-5-6-10-17(16)23-20(25)28-15(3)18(26)24-21(13-22)11-7-4-8-12-21/h5-6,9-10,14-15H,4,7-8,11-12H2,1-3H3,(H,24,26)/t15-/m1/s1