(2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C(C)C

InChI

InChI=1S/C18H22N4O2S/c1-12(2)22-17(24)14-8-5-6-9-15(14)20-18(22)25-13(3)16(23)21(4)11-7-10-19/h5-6,8-9,12-13H,7,11H2,1-4H3/t13-/m1/s1