methyl 2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoate

Systemtic Name: methyl 2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoate Openeye Name: methyl 2-(3-amino-6-bromo-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 2-[(3-amino-6-bromo-4-oxo-2-quinazolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-amino-6-bromo-4-keto-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1N

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1N

InChI

InChI=1S/C12H12BrN3O3S/c1-6(11(18)19-2)20-12-15-9-4-3-7(13)5-8(9)10(17)16(12)14/h3-6H,14H2,1-2H3