(3-methylsulfanylphenyl) 2,4-bis(azanyl)quinazoline-6-carboxylate

Systemtic Name: (3-methylsulfanylphenyl) 2,4-bis(azanyl)quinazoline-6-carboxylate Openeye Name: (3-methylsulfanylphenyl) 2,4-diaminoquinazoline-6-carboxylate CAS Name: 2,4-diamino-6-quinazolinecarboxylic acid [3-(methylthio)phenyl] ester IUPAC Name: (3-methylsulfanylphenyl) 2,4-diaminoquinazoline-6-carboxylate Traditional Name: 2,4-diaminoquinazoline-6-carboxylic acid [3-(methylthio)phenyl] ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CSC1=CC=CC(=C1)OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C16H14N4O2S/c1-23-11-4-2-3-10(8-11)22-15(21)9-5-6-13-12(7-9)14(17)20-16(18)19-13/h2-8H,1H3,(H4,17,18,19,20)