2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H26N4O3S/c1-4-5-6-9-12-25-20(27)16-10-7-8-11-17(16)22-21(25)29-15(3)19(26)23-18-13-14(2)28-24-18/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3,(H,23,24,26)