6-chloranyl-N-(phenylmethyl)-7H-purin-2-amine

Systemtic Name: 6-chloranyl-N-(phenylmethyl)-7H-purin-2-amine Openeye Name: N-benzyl-6-chloro-7H-purin-2-amine CAS Name: 6-chloro-N-(phenylmethyl)-7H-purin-2-amine IUPAC Name: N-benzyl-6-chloro-7H-purin-2-amine Traditional Name: benzyl-(6-chloro-7H-purin-2-yl)amine Formula: C12H10ClN5 MolecularWeight: 259.6943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)Cl)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)Cl)NC=N3

InChI

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