1-(4,6-dimethylpyrimidin-2-yl)-1,2-bis-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1,2-bis-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1,2-bis(p-tolylsulfonyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1,2-bis-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1,2-bis-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1,2-ditosyl-guanidine Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N)N(C2=NC(=CC(=N2)C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/N)\N(C2=NC(=CC(=N2)C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N5O4S2/c1-14-5-9-18(10-6-14)31(27,28)25-20(22)26(21-23-16(3)13-17(4)24-21)32(29,30)19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H2,22,25)