2-[6-bromanyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-bromanyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide Openeye Name: 2-[6-bromo-3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetamide CAS Name: 2-[[6-bromo-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[6-bromo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[6-bromo-4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)N

InChI

InChI=1S/C17H14BrN3O3S/c1-24-12-5-3-11(4-6-12)21-16(23)13-8-10(18)2-7-14(13)20-17(21)25-9-15(19)22/h2-8H,9H2,1H3,(H2,19,22)