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

Systemtic Name: 9-methyl-2-phenethyl-8-(1,2,3-triazol-2-yl)purin-6-amine Openeye Name: 9-methyl-2-phenethyl-8-(triazol-2-yl)purin-6-amine CAS Name: 9-methyl-2-phenethyl-8-(2-triazolyl)-6-purinamine IUPAC Name: 9-methyl-2-phenethyl-8-(triazol-2-yl)purin-6-amine Traditional Name: [9-methyl-2-phenethyl-8-(triazol-2-yl)purin-6-yl]amine Formula: C16H16N8 MolecularWeight: 320.35184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)CCC3=CC=CC=C3)N)N=C1N4N=CC=N4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)CCC3=CC=CC=C3)N)N=C1N4N=CC=N4

InChI

InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)