2-chloranyl-N-phenethyl-9-phenyl-purin-6-amine chloride

Systemtic Name: 2-chloranyl-N-phenethyl-9-phenyl-purin-6-amine chloride Openeye Name: 2-chloro-N-phenethyl-9-phenyl-purin-6-amine chloride CAS Name: 2-chloro-N-phenethyl-9-phenyl-6-purinamine chloride IUPAC Name: 2-chloro-N-phenethyl-9-phenylpurin-6-amine chloride Traditional Name: (2-chloro-9-phenyl-purin-6-yl)-phenethyl-amine chloride Formula: C19H16Cl2N5- MolecularWeight: 385.26984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4=CC=CC=C4)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4=CC=CC=C4)Cl.[Cl-]

InChI

InChI=1S/C19H16ClN5.ClH/c20-19-23-17(21-12-11-14-7-3-1-4-8-14)16-18(24-19)25(13-22-16)15-9-5-2-6-10-15;/h1-10,13H,11-12H2,(H,21,23,24);1H/p-1