N-phenyl-4-pyridin-3-yl-pyrimidin-2-amine phosphate

Systemtic Name: N-phenyl-4-pyridin-3-yl-pyrimidin-2-amine phosphate Openeye Name: N-phenyl-4-(3-pyridyl)pyrimidin-2-amine phosphate CAS Name: N-phenyl-4-(3-pyridinyl)-2-pyrimidinamine phosphate IUPAC Name: N-phenyl-4-pyridin-3-ylpyrimidin-2-amine phosphate Traditional Name: phenyl-[4-(3-pyridyl)pyrimidin-2-yl]amine phosphate Formula: C15H12N4O4P-3 MolecularWeight: 343.253941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=CC=C3.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=CC=C3.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H12N4.H3O4P/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12;1-5(2,3)4/h1-11H,(H,17,18,19);(H3,1,2,3,4)/p-3