8-[(E)-bis(2-chloroethyl)aminodiazenyl]-5H-purin-6-amine

Systemtic Name: 8-[(E)-bis(2-chloroethyl)aminodiazenyl]-5H-purin-6-amine Openeye Name: 8-[(E)-bis(2-chloroethyl)aminoazo]-5H-purin-6-amine CAS Name: 8-[(E)-bis(2-chloroethyl)aminoazo]-5H-purin-6-amine IUPAC Name: 8-[(E)-bis(2-chloroethyl)aminodiazenyl]-5H-purin-6-amine Traditional Name: [(E)-(6-amino-5H-purin-8-yl)azo]-bis(2-chloroethyl)amine Formula: C9H12Cl2N8 MolecularWeight: 303.15118

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=NC2C(=N1)N)N=NN(CCCl)CCCl

Isomeric SMILES

C1=NC2=NC(=NC2C(=N1)N)/N=N/N(CCCl)CCCl

InChI

InChI=1S/C9H12Cl2N8/c10-1-3-19(4-2-11)18-17-9-15-6-7(12)13-5-14-8(6)16-9/h5-6H,1-4H2,(H2,12,13,14,15,16)/b18-17+