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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)NC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/NC3=NC(=CC(=N3)C)C)C

InChI

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