(2R)-3-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-2-methyl-propionitrile Formula: C16H18ClN3OS MolecularWeight: 335.85162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC(C)C)C#N

InChI

InChI=1S/C16H18ClN3OS/c1-10(2)8-20-15(21)13-6-12(17)4-5-14(13)19-16(20)22-9-11(3)7-18/h4-6,10-11H,8-9H2,1-3H3/t11-/m1/s1