9-[(3-chlorophenyl)methyl]purin-6-amine

Systemtic Name: 9-[(3-chlorophenyl)methyl]purin-6-amine Openeye Name: 9-[(3-chlorophenyl)methyl]purin-6-amine CAS Name: 9-[(3-chlorophenyl)methyl]-6-purinamine IUPAC Name: 9-[(3-chlorophenyl)methyl]purin-6-amine Traditional Name: [9-(3-chlorobenzyl)purin-6-yl]amine Formula: C12H10ClN5 MolecularWeight: 259.6943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H10ClN5/c13-9-3-1-2-8(4-9)5-18-7-17-10-11(14)15-6-16-12(10)18/h1-4,6-7H,5H2,(H2,14,15,16)