2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)O

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)O

InChI

InChI=1S/C18H24BrN3O3S/c1-11(2)6-7-20-16(24)10-26-18-21-15-5-4-13(19)8-14(15)17(25)22(18)9-12(3)23/h4-5,8,11-12,23H,6-7,9-10H2,1-3H3,(H,20,24)