2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-amine hydrate

Systemtic Name: 2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-amine hydrate Openeye Name: 2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-amine hydrate CAS Name: 2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-amine hydrate IUPAC Name: 2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-amine hydrate Traditional Name: [2-methyl-3-(4-phenylphenyl)-6-(trifluoromethyl)-4H-pyrimidin-4-yl]amine hydrate Formula: C18H18F3N3O MolecularWeight: 349.35023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(N1C2=CC=C(C=C2)C3=CC=CC=C3)N)C(F)(F)F.O

Isomeric SMILES

CC1=NC(=CC(N1C2=CC=C(C=C2)C3=CC=CC=C3)N)C(F)(F)F.O

InChI

InChI=1S/C18H16F3N3.H2O/c1-12-23-16(18(19,20)21)11-17(22)24(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13;/h2-11,17H,22H2,1H3;1H2