[4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]phenyl]arsonic acid

Systemtic Name: [4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]phenyl]arsonic acid Openeye Name: [4-[[6-(2-thienylmethylsulfanyl)-5H-purin-8-yl]azo]phenyl]arsonic acid CAS Name: [4-[[6-(thiophen-2-ylmethylthio)-5H-purin-8-yl]azo]phenyl]arsonic acid IUPAC Name: [4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]phenyl]arsonic acid Traditional Name: [4-[[6-(2-thenylthio)-5H-purin-8-yl]azo]phenyl]arsonic acid Formula: C16H13AsN6O3S2 MolecularWeight: 476.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)[As](=O)(O)O

Isomeric SMILES

C1=CSC(=C1)CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)[As](=O)(O)O

InChI

InChI=1S/C16H13AsN6O3S2/c24-17(25,26)10-3-5-11(6-4-10)22-23-16-20-13-14(21-16)18-9-19-15(13)28-8-12-2-1-7-27-12/h1-7,9,13H,8H2,(H2,24,25,26)