(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: (2S)-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: (2S)-N-[2-[(2R)-butan-2-yl]-3-pyrazolyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: (2S)-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-2-(quinazolin-4-ylthio)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC[C@@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H21N5OS/c1-4-12(2)23-16(9-10-21-23)22-17(24)13(3)25-18-14-7-5-6-8-15(14)19-11-20-18/h5-13H,4H2,1-3H3,(H,22,24)/t12-,13+/m1/s1