1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methoxyphenyl)-2-(p-tolylsulfonyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(3-methoxyphenyl)-2-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=C(NC2=CC(=CC=C2)OC)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC(=CC=C2)OC)\NC3=NC(=CC(=N3)C)C

InChI

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