9-[4-[bis(2-chloroethyl)amino]phenyl]purin-6-amine

Systemtic Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]purin-6-amine Openeye Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]purin-6-amine CAS Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-6-purinamine IUPAC Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]purin-6-amine Traditional Name: (4-adenin-9-ylphenyl)-bis(2-chloroethyl)amine Formula: C15H16Cl2N6 MolecularWeight: 351.23374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=C2N=CN=C3N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=C2N=CN=C3N)N(CCCl)CCCl

InChI

InChI=1S/C15H16Cl2N6/c16-5-7-22(8-6-17)11-1-3-12(4-2-11)23-10-21-13-14(18)19-9-20-15(13)23/h1-4,9-10H,5-8H2,(H2,18,19,20)