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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-(phenylsulfonyl)guanidine Openeye Name: 1-(benzenesulfonyl)-1-(3,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-(benzenesulfonyl)-1-(3,4-dimethylphenyl)-2-(4,6-dimethyl-2-pyrimidinyl)guanidine IUPAC Name: 1-(benzenesulfonyl)-1-(3,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 1-besyl-1-(3,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N(/C(=N/C2=NC(=CC(=N2)C)C)/N)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O2S/c1-14-10-11-18(12-15(14)2)26(29(27,28)19-8-6-5-7-9-19)20(22)25-21-23-16(3)13-17(4)24-21/h5-13H,1-4H3,(H2,22,23,24,25)