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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-phenylguanidine Traditional Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-guanidine Formula: C20H21N5O2S MolecularWeight: 395.47804

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-15-13-16(2)22-19(21-15)24-20(23-18-11-7-4-8-12-18)25-28(26,27)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H2,21,22,23,24,25)