N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[3-[3-(dimethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-[3-(dimethylamino)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[3-[3-(dimethylamino)propyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN(C)C

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN(C)C

InChI

InChI=1S/C21H29N5O2S/c1-15(2)21(3,14-22)24-18(27)13-29-20-23-17-10-7-6-9-16(17)19(28)26(20)12-8-11-25(4)5/h6-7,9-10,15H,8,11-13H2,1-5H3,(H,24,27)/t21-/m1/s1