9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine

Systemtic Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine Openeye Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine CAS Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]-6-purinamine IUPAC Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine Traditional Name: 2-adenin-9-ylethyl-bis(2-chloroethyl)amine Formula: C11H16Cl2N6 MolecularWeight: 303.19094

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCN(CCCl)CCCl

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCN(CCCl)CCCl

InChI

InChI=1S/C11H16Cl2N6/c12-1-3-18(4-2-13)5-6-19-8-17-9-10(14)15-7-16-11(9)19/h7-8H,1-6H2,(H2,14,15,16)