6-methyl-N4-[3-(phenylsulfonyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-methyl-N4-[3-(phenylsulfonyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-[3-(benzenesulfonyl)phenyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[3-(benzenesulfonyl)phenyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-[3-(benzenesulfonyl)phenyl]-6-methylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-(3-besylphenyl)amine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-12-10-16(21-17(18)19-12)20-13-6-5-9-15(11-13)24(22,23)14-7-3-2-4-8-14/h2-11H,1H3,(H3,18,19,20,21)