[4-[carbamimidoyl-(4,6-dimethylpyrimidin-2-yl)amino]phenyl]arsonic acid

Systemtic Name: [4-[carbamimidoyl-(4,6-dimethylpyrimidin-2-yl)amino]phenyl]arsonic acid Openeye Name: [4-[carbamimidoyl-(4,6-dimethylpyrimidin-2-yl)amino]phenyl]arsonic acid CAS Name: [4-[carbamimidoyl-(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]arsonic acid IUPAC Name: [4-[carbamimidoyl-(4,6-dimethylpyrimidin-2-yl)amino]phenyl]arsonic acid Traditional Name: [4-[amidino-(4,6-dimethylpyrimidin-2-yl)amino]phenyl]arsonic acid Formula: C13H16AsN5O3 MolecularWeight: 365.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(C2=CC=C(C=C2)[As](=O)(O)O)C(=N)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(C2=CC=C(C=C2)[As](=O)(O)O)C(=N)N)C

InChI

InChI=1S/C13H16AsN5O3/c1-8-7-9(2)18-13(17-8)19(12(15)16)11-5-3-10(4-6-11)14(20,21)22/h3-7H,1-2H3,(H3,15,16)(H2,20,21,22)