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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-1,1-bis(phenylmethyl)guanidine Openeye Name: 1,1-dibenzyl-3-(4,6-dimethylpyrimidin-2-yl)-2-(p-tolylsulfonyl)guanidine CAS Name: 3-(4,6-dimethyl-2-pyrimidinyl)-2-(4-methylphenyl)sulfonyl-1,1-bis(phenylmethyl)guanidine IUPAC Name: 1,1-dibenzyl-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine Traditional Name: 1,1-dibenzyl-3-(4,6-dimethylpyrimidin-2-yl)-2-tosyl-guanidine Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CC(=N2)C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=NC(=CC(=N2)C)C)\N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O2S/c1-21-14-16-26(17-15-21)36(34,35)32-28(31-27-29-22(2)18-23(3)30-27)33(19-24-10-6-4-7-11-24)20-25-12-8-5-9-13-25/h4-18H,19-20H2,1-3H3,(H,29,30,31,32)