6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine

Systemtic Name: 6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(2-cyclopentylethynyl)purine CAS Name: 6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(2-cyclopentylethynyl)purine Traditional Name: 9-benzyl-6-(2-cyclopentylethynyl)purine Formula: C19H13N4 MolecularWeight: 297.33332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#C[C]4[CH][CH][CH][CH]4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#C[C]4[CH][CH][CH][CH]4

InChI

InChI=1S/C19H13N4/c1-2-8-16(9-3-1)12-23-14-22-18-17(20-13-21-19(18)23)11-10-15-6-4-5-7-15/h1-9,13-14H,12H2