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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-nitrophenyl)sulfonyl-guanidine Openeye Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-nitrophenyl)sulfonyl-guanidine CAS Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(4-nitrophenyl)sulfonylguanidine IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-nitrophenyl)sulfonylguanidine Traditional Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-nosyl-guanidine Formula: C21H22N6O4S MolecularWeight: 454.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/NC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C21H22N6O4S/c1-13-5-6-17(11-14(13)2)24-21(25-20-22-15(3)12-16(4)23-20)26-32(30,31)19-9-7-18(8-10-19)27(28)29/h5-12H,1-4H3,(H2,22,23,24,25,26)