9-methyl-2-(4-phenylbutyl)-8-(1,2,3-triazol-2-yl)purin-6-amine

Systemtic Name: 9-methyl-2-(4-phenylbutyl)-8-(1,2,3-triazol-2-yl)purin-6-amine Openeye Name: 9-methyl-2-(4-phenylbutyl)-8-(triazol-2-yl)purin-6-amine CAS Name: 9-methyl-2-(4-phenylbutyl)-8-(2-triazolyl)-6-purinamine IUPAC Name: 9-methyl-2-(4-phenylbutyl)-8-(triazol-2-yl)purin-6-amine Traditional Name: [9-methyl-2-(4-phenylbutyl)-8-(triazol-2-yl)purin-6-yl]amine Formula: C18H20N8 MolecularWeight: 348.405

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)CCCCC3=CC=CC=C3)N)N=C1N4N=CC=N4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)CCCCC3=CC=CC=C3)N)N=C1N4N=CC=N4

InChI

InChI=1S/C18H20N8/c1-25-17-15(24-18(25)26-20-11-12-21-26)16(19)22-14(23-17)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,19,22,23)