ethanoic acid; 2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-amine; trihydrate

Systemtic Name: ethanoic acid; 2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-amine; trihydrate Openeye Name: acetic acid; 2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-amine; trihydrate CAS Name: acetic acid; 2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-amine; trihydrate IUPAC Name: acetic acid; 2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-amine; trihydrate Traditional Name: acetic acid; [2-methyl-3-(4-phenylphenyl)-4H-pyrimidin-4-yl]amine; trihydrate Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3.C2H4O2.3H2O/c1-13-19-12-11-17(18)20(13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-2(3)4;;;/h2-12,17H,18H2,1H3;1H3,(H,3,4);3*1H2