4-azanyl-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate

Systemtic Name: 4-azanyl-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate Openeye Name: 4-amino-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate CAS Name: 4-amino-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate IUPAC Name: 4-amino-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate Traditional Name: 4-amino-1-methyl-3-(4-phenylphenyl)-2-(trifluoromethyl)-2,4-dihydroquinazolin-5-ol dihydrate Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(C2=C1C=CC=C2O)N)C3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F.O.O

Isomeric SMILES

CN1C(N(C(C2=C1C=CC=C2O)N)C3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F.O.O

InChI

InChI=1S/C22H20F3N3O.2H2O/c1-27-17-8-5-9-18(29)19(17)20(26)28(21(27)22(23,24)25)16-12-10-15(11-13-16)14-6-3-2-4-7-14;;/h2-13,20-21,29H,26H2,1H3;2*1H2