(2S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]pyrrolidine-2-carboxamide Formula: C20H23FN6OS MolecularWeight: 414.499623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC3C(=O)NCCSC4=NC=CN4C

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@H]3C(=O)NCCSC4=NC=CN4C

InChI

InChI=1S/C20H23FN6OS/c1-13-15-12-14(21)5-6-16(15)25-19(24-13)27-9-3-4-17(27)18(28)22-8-11-29-20-23-7-10-26(20)2/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,22,28)/t17-/m0/s1