4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine sulfate

Systemtic Name: 4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine sulfate Openeye Name: 4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine sulfate CAS Name: 4-methyl-N-phenyl-6-prop-1-ynyl-2-pyrimidinamine sulfate IUPAC Name: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine sulfate Traditional Name: (4-methyl-6-prop-1-ynyl-pyrimidin-2-yl)-phenyl-amine sulfate Formula: C14H13N3O4S-2 MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC#CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H13N3.H2O4S/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12;1-5(2,3)4/h4-6,8-10H,1-2H3,(H,15,16,17);(H2,1,2,3,4)/p-2