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

Systemtic Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine hydrochloride Openeye Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine hydrochloride CAS Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]-6-purinamine hydrochloride IUPAC Name: 9-[2-[bis(2-chloroethyl)amino]ethyl]purin-6-amine hydrochloride Traditional Name: 2-adenin-9-ylethyl-bis(2-chloroethyl)amine hydrochloride Formula: C11H17Cl3N6 MolecularWeight: 339.65188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16Cl2N6.ClH/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);1H