2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H24N6OS/c1-11-17(12(2)26(4)25-11)23-19(27)13(3)28-20-22-16-8-6-5-7-15(16)18(24-20)21-14-9-10-14/h5-8,13-14H,9-10H2,1-4H3,(H,23,27)(H,21,22,24)