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

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Openeye Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide CAS Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Traditional Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)propionamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3OC)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3OC)O

InChI

InChI=1S/C21H22BrN3O4S/c1-12(26)11-25-20(28)15-10-14(22)8-9-16(15)24-21(25)30-13(2)19(27)23-17-6-4-5-7-18(17)29-3/h4-10,12-13,26H,11H2,1-3H3,(H,23,27)