(2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(2-methyl-4-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(2-methylquinazolin-4-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C18H21N5OS/c1-10-16(11(2)23(5)22-10)21-17(24)12(3)25-18-14-8-6-7-9-15(14)19-13(4)20-18/h6-9,12H,1-5H3,(H,21,24)/t12-/m0/s1