8-[4-[bis(2-chloroethyl)amino]phenyl]-7H-purin-6-amine

Systemtic Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-7H-purin-6-amine Openeye Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-7H-purin-6-amine CAS Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-7H-purin-6-amine IUPAC Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-7H-purin-6-amine Traditional Name: [4-(6-amino-7H-purin-8-yl)phenyl]-bis(2-chloroethyl)amine Formula: C15H16Cl2N6 MolecularWeight: 351.23374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)N(CCCl)CCCl

InChI

InChI=1S/C15H16Cl2N6/c16-5-7-23(8-6-17)11-3-1-10(2-4-11)14-21-12-13(18)19-9-20-15(12)22-14/h1-4,9H,5-8H2,(H3,18,19,20,21,22)