2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C21H27N5O2S/c1-5-6-13-25-20(28)16-9-7-8-10-17(16)23-21(25)29-15(4)19(27)24-18-11-12-22-26(18)14(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)