2-chloranyl-N-phenethyl-9-(pyridin-3-ylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-N-phenethyl-9-(pyridin-3-ylmethyl)purin-6-amine Openeye Name: 2-chloro-N-phenethyl-9-(3-pyridylmethyl)purin-6-amine CAS Name: 2-chloro-N-phenethyl-9-(3-pyridinylmethyl)-6-purinamine IUPAC Name: 2-chloro-N-phenethyl-9-(pyridin-3-ylmethyl)purin-6-amine Traditional Name: [2-chloro-9-(3-pyridylmethyl)purin-6-yl]-phenethyl-amine Formula: C19H17ClN6 MolecularWeight: 364.83148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CN=CC=C4)Cl

InChI

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