methyl (4S)-6-chloranyl-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate

Systemtic Name: methyl (4S)-6-chloranyl-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate Openeye Name: methyl (4S)-6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate CAS Name: (4S)-6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate Traditional Name: (4S)-6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylic acid methyl ester Formula: C12H7ClF6N2O2 MolecularWeight: 360.639599

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(C=CC(=C2)Cl)NC(=N1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@]1(C2=C(C=CC(=C2)Cl)NC(=N1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H7ClF6N2O2/c1-23-9(22)10(12(17,18)19)6-4-5(13)2-3-7(6)20-8(21-10)11(14,15)16/h2-4H,1H3,(H,20,21)/t10-/m0/s1