9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine-2,6-diamine

Systemtic Name: 9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine-2,6-diamine Openeye Name: 9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine-2,6-diamine CAS Name: 9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine-2,6-diamine IUPAC Name: 9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine-2,6-diamine Traditional Name: [2-amino-9-[4-[4-(chloromethyl)phenyl]benzyl]purin-6-yl]amine Formula: C19H17ClN6 MolecularWeight: 364.83148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3N)N)C4=CC=C(C=C4)CCl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3N)N)C4=CC=C(C=C4)CCl

InChI

InChI=1S/C19H17ClN6/c20-9-12-1-5-14(6-2-12)15-7-3-13(4-8-15)10-26-11-23-16-17(21)24-19(22)25-18(16)26/h1-8,11H,9-10H2,(H4,21,22,24,25)