(2R)-2-methyl-3-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanenitrile

Systemtic Name: (2R)-2-methyl-3-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-3-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-2-methyl-3-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-methyl-3-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-3-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-2-methyl-propionitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(C)C#N

Isomeric SMILES

C[C@@H](CSC1=NC2=CC=CC=C2C(=O)N1CC(C)C)C#N

InChI

InChI=1S/C16H19N3OS/c1-11(2)9-19-15(20)13-6-4-5-7-14(13)18-16(19)21-10-12(3)8-17/h4-7,11-12H,9-10H2,1-3H3/t12-/m1/s1