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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C23H31N5O2S/c1-5-6-7-10-15-27-22(30)18-11-8-9-12-19(18)25-23(27)31-17(4)21(29)26-20-13-14-24-28(20)16(2)3/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3,(H,26,29)