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

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C18H23N5OS/c1-5-20-16-13-8-6-7-9-14(13)21-17(22-16)25-10-15(24)23-18(4,11-19)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,23,24)(H,20,21,22)/t18-/m1/s1