4-(3-aminophenyl)-5-azanyl-2-methylsulfanyl-quinazoline-6-carboxylate

Systemtic Name: 4-(3-aminophenyl)-5-azanyl-2-methylsulfanyl-quinazoline-6-carboxylate Openeye Name: 5-amino-4-(3-aminophenyl)-2-methylsulfanyl-quinazoline-6-carboxylate CAS Name: 5-amino-4-(3-aminophenyl)-2-(methylthio)-6-quinazolinecarboxylate IUPAC Name: 5-amino-4-(3-aminophenyl)-2-methylsulfanylquinazoline-6-carboxylate Traditional Name: 5-amino-4-(3-aminophenyl)-2-(methylthio)quinazoline-6-carboxylate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=C(C=C2)C(=O)[O-])N)C(=N1)C3=CC(=CC=C3)N

Isomeric SMILES

CSC1=NC2=C(C(=C(C=C2)C(=O)[O-])N)C(=N1)C3=CC(=CC=C3)N

InChI

InChI=1S/C16H14N4O2S/c1-23-16-19-11-6-5-10(15(21)22)13(18)12(11)14(20-16)8-3-2-4-9(17)7-8/h2-7H,17-18H2,1H3,(H,21,22)/p-1