4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine sulfate

Systemtic Name: 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine sulfate Openeye Name: 4-(2-furyl)-N-(m-tolyl)pyrimidin-2-amine sulfate CAS Name: 4-(2-furanyl)-N-(3-methylphenyl)-2-pyrimidinamine sulfate IUPAC Name: 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine sulfate Traditional Name: [4-(2-furyl)pyrimidin-2-yl]-(m-tolyl)amine sulfate Formula: C15H13N3O5S-2 MolecularWeight: 347.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=CO3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=CO3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H13N3O.H2O4S/c1-11-4-2-5-12(10-11)17-15-16-8-7-13(18-15)14-6-3-9-19-14;1-5(2,3)4/h2-10H,1H3,(H,16,17,18);(H2,1,2,3,4)/p-2