9-butyl-2-chloranyl-N-phenethyl-purin-6-amine

Systemtic Name: 9-butyl-2-chloranyl-N-phenethyl-purin-6-amine Openeye Name: 9-butyl-2-chloro-N-phenethyl-purin-6-amine CAS Name: 9-butyl-2-chloro-N-phenethyl-6-purinamine IUPAC Name: 9-butyl-2-chloro-N-phenethylpurin-6-amine Traditional Name: (9-butyl-2-chloro-purin-6-yl)-phenethyl-amine Formula: C17H20ClN5 MolecularWeight: 329.8272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5/c1-2-3-11-23-12-20-14-15(21-17(18)22-16(14)23)19-10-9-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H,19,21,22)