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

Systemtic Name: 1-(3,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(3,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-(3,5-dimethoxyphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(3,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 2-benzylsulfonyl-1-(3,5-dimethoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)CC2=CC=CC=C2)NC3=CC(=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)CC2=CC=CC=C2)/NC3=CC(=CC(=C3)OC)OC)C

InChI

InChI=1S/C22H25N5O4S/c1-15-10-16(2)24-21(23-15)26-22(25-18-11-19(30-3)13-20(12-18)31-4)27-32(28,29)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H2,23,24,25,26,27)