ethyl 5-azanyl-3-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(6-bromo-4-oxo-quinazolin-3-yl)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(6-bromo-4-oxo-3-quinazolinyl)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(6-bromo-4-keto-quinazolin-3-yl)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H13BrN4O3S MolecularWeight: 433.27912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H13BrN4O3S/c1-2-25-17(24)14-12(11(6-19)15(20)26-14)7-22-8-21-13-4-3-9(18)5-10(13)16(22)23/h3-5,8H,2,7,20H2,1H3