N-(benzotriazol-1-ylmethyl)-9-butyl-purin-6-amine

Systemtic Name: N-(benzotriazol-1-ylmethyl)-9-butyl-purin-6-amine Openeye Name: N-(benzotriazol-1-ylmethyl)-9-butyl-purin-6-amine CAS Name: N-(1-benzotriazolylmethyl)-9-butyl-6-purinamine IUPAC Name: N-(benzotriazol-1-ylmethyl)-9-butylpurin-6-amine Traditional Name: benzotriazol-1-ylmethyl-(9-butylpurin-6-yl)amine Formula: C16H18N8 MolecularWeight: 322.36772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2NCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2NCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H18N8/c1-2-3-8-23-10-19-14-15(17-9-18-16(14)23)20-11-24-13-7-5-4-6-12(13)21-22-24/h4-7,9-10H,2-3,8,11H2,1H3,(H,17,18,20)