[4-[[4,6-bis(azanyl)-2-methylsulfanyl-pyrimidin-5-yl]diazenyl]phenyl]arsonic acid

Systemtic Name: [4-[[4,6-bis(azanyl)-2-methylsulfanyl-pyrimidin-5-yl]diazenyl]phenyl]arsonic acid Openeye Name: [4-(4,6-diamino-2-methylsulfanyl-pyrimidin-5-yl)azophenyl]arsonic acid CAS Name: [4-[[4,6-diamino-2-(methylthio)-5-pyrimidinyl]azo]phenyl]arsonic acid IUPAC Name: [4-[(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)diazenyl]phenyl]arsonic acid Traditional Name: [4-[4,6-diamino-2-(methylthio)pyrimidin-5-yl]azophenyl]arsonic acid Formula: C11H13AsN6O3S MolecularWeight: 384.24592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N)N=NC2=CC=C(C=C2)[As](=O)(O)O)N

Isomeric SMILES

CSC1=NC(=C(C(=N1)N)N=NC2=CC=C(C=C2)[As](=O)(O)O)N

InChI

InChI=1S/C11H13AsN6O3S/c1-22-11-15-9(13)8(10(14)16-11)18-17-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H4,13,14,15,16)