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

Systemtic Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine Openeye Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine CAS Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-ethoxyphenyl)guanidine IUPAC Name: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine Traditional Name: 2-brosyl-1-(4,6-dimethylpyrimidin-2-yl)-3-p-phenetyl-guanidine Formula: C21H22BrN5O3S MolecularWeight: 504.40008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=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/C21H22BrN5O3S/c1-4-30-18-9-7-17(8-10-18)25-21(26-20-23-14(2)13-15(3)24-20)27-31(28,29)19-11-5-16(22)6-12-19/h5-13H,4H2,1-3H3,(H2,23,24,25,26,27)