[4-(trifluoromethylsulfanyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate

Systemtic Name: [4-(trifluoromethylsulfanyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate Openeye Name: [4-(trifluoromethylsulfanyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate CAS Name: 2,4-diamino-6-quinazolinecarboxylic acid [4-(trifluoromethylthio)phenyl] ester IUPAC Name: [4-(trifluoromethylsulfanyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate Traditional Name: 2,4-diaminoquinazoline-6-carboxylic acid [4-(trifluoromethylthio)phenyl] ester Formula: C16H11F3N4O2S MolecularWeight: 380.34435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)SC(F)(F)F

InChI

InChI=1S/C16H11F3N4O2S/c17-16(18,19)26-10-4-2-9(3-5-10)25-14(24)8-1-6-12-11(7-8)13(20)23-15(21)22-12/h1-7H,(H4,20,21,22,23)