methyl 2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: methyl 2-(3-amino-6-bromo-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: 2-[(3-amino-6-bromo-4-oxo-2-quinazolinyl)thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(3-amino-6-bromo-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid methyl ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2N

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2N

InChI

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