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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)-2-(phenylsulfonyl)guanidine Openeye Name: 2-(benzenesulfonyl)-1-(4-benzyloxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 2-(benzenesulfonyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-phenylmethoxyphenyl)guanidine IUPAC Name: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine Traditional Name: 1-(4-benzoxyphenyl)-2-besyl-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C26H25N5O3S MolecularWeight: 487.5734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N5O3S/c1-19-17-20(2)28-25(27-19)30-26(31-35(32,33)24-11-7-4-8-12-24)29-22-13-15-23(16-14-22)34-18-21-9-5-3-6-10-21/h3-17H,18H2,1-2H3,(H2,27,28,29,30,31)