2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine

Systemtic Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine Openeye Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine CAS Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-propoxyphenyl)guanidine IUPAC Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine Traditional Name: 2-brosyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine Formula: C22H24BrN5O3S MolecularWeight: 518.42666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Br)/NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H24BrN5O3S/c1-4-13-31-19-9-7-18(8-10-19)26-22(27-21-24-15(2)14-16(3)25-21)28-32(29,30)20-11-5-17(23)6-12-20/h5-12,14H,4,13H2,1-3H3,(H2,24,25,26,27,28)