dimethyl 5-azanyl-3-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H18BrN3O5S2 MolecularWeight: 512.39732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C19H18BrN3O5S2/c1-4-23-16(24)10-7-9(20)5-6-12(10)22-19(23)29-8-11-13(17(25)27-2)15(21)30-14(11)18(26)28-3/h5-7H,4,8,21H2,1-3H3