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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)-1-(p-tolylsulfonyl)guanidine CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)-1-tosyl-guanidine Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2OC)C(=NC3=NC(=CC(=N3)C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2OC)/C(=N/C3=NC(=CC(=N3)C)C)/N

InChI

InChI=1S/C21H23N5O3S/c1-14-9-11-17(12-10-14)30(27,28)26(18-7-5-6-8-19(18)29-4)20(22)25-21-23-15(2)13-16(3)24-21/h5-13H,1-4H3,(H2,22,23,24,25)