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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)-2-(phenylsulfonyl)guanidine Openeye Name: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine CAS Name: 2-(benzenesulfonyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-ethoxyphenyl)guanidine IUPAC Name: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine Traditional Name: 2-besyl-1-(4,6-dimethylpyrimidin-2-yl)-3-p-phenetyl-guanidine Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H23N5O3S/c1-4-29-18-12-10-17(11-13-18)24-21(25-20-22-15(2)14-16(3)23-20)26-30(27,28)19-8-6-5-7-9-19/h5-14H,4H2,1-3H3,(H2,22,23,24,25,26)