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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxyphenyl)-2-(phenylsulfonyl)guanidine Openeye Name: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxyphenyl)guanidine CAS Name: 2-(benzenesulfonyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-methoxyphenyl)guanidine IUPAC Name: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxyphenyl)guanidine Traditional Name: 2-besyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxyphenyl)guanidine Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H21N5O3S/c1-14-13-15(2)22-19(21-14)24-20(23-16-9-11-17(28-3)12-10-16)25-29(26,27)18-7-5-4-6-8-18/h4-13H,1-3H3,(H2,21,22,23,24,25)