1-(2,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylsulfonyl)guanidine

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylsulfonyl)guanidine Openeye Name: 2-(benzenesulfonyl)-1-(2,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 2-(benzenesulfonyl)-1-(2,5-dimethoxyphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)guanidine IUPAC Name: 2-(benzenesulfonyl)-1-(2,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 2-besyl-1-(2,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-14-12-15(2)23-20(22-14)25-21(26-31(27,28)17-8-6-5-7-9-17)24-18-13-16(29-3)10-11-19(18)30-4/h5-13H,1-4H3,(H2,22,23,24,25,26)