N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C21H25ClN4O3S/c1-12(2)10-26-19(28)14-8-13(22)6-7-15(14)23-20(26)30-11-17(27)24-18-9-16(25-29-18)21(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,24,27)