4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzenesulfonic acid Openeye Name: 4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzenesulfonic acid CAS Name: 4-[[(Z)-amino-[(4,6-dimethyl-2-pyrimidinyl)imino]methyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzenesulfonic acid Traditional Name: 4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)amidino]amino]besylic acid Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)/N=C(/N)\NC2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C13H15N5O3S/c1-8-7-9(2)16-13(15-8)18-12(14)17-10-3-5-11(6-4-10)22(19,20)21/h3-7H,1-2H3,(H,19,20,21)(H3,14,15,16,17,18)