(4S)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol

Systemtic Name: (4S)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol Openeye Name: (4S)-4-(3-chloro-4-fluoro-anilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol CAS Name: (4S)-4-(3-chloro-4-fluoroanilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol IUPAC Name: (4S)-4-(3-chloro-4-fluoroanilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol Traditional Name: (4S)-4-(3-chloro-4-fluoro-anilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-ol Formula: C15H14ClFN3O2+ MolecularWeight: 322.741963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+]=CNC2=C1)NC3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+]=CNC2=C1)NC3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C15H13ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,15,20-21H,1H3,(H,18,19)/p+1/t15-/m1/s1