8-(phenylmethyl)-9-prop-2-ynyl-purine-2,6-diamine

Systemtic Name: 8-(phenylmethyl)-9-prop-2-ynyl-purine-2,6-diamine Openeye Name: 8-benzyl-9-prop-2-ynyl-purine-2,6-diamine CAS Name: 8-(phenylmethyl)-9-prop-2-ynylpurine-2,6-diamine IUPAC Name: 8-benzyl-9-prop-2-ynylpurine-2,6-diamine Traditional Name: (2-amino-8-benzyl-9-propargyl-purin-6-yl)amine Formula: C15H14N6 MolecularWeight: 278.31186

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=NC2=C1N=C(N=C2N)N)CC3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=NC2=C1N=C(N=C2N)N)CC3=CC=CC=C3

InChI

InChI=1S/C15H14N6/c1-2-8-21-11(9-10-6-4-3-5-7-10)18-12-13(16)19-15(17)20-14(12)21/h1,3-7H,8-9H2,(H4,16,17,19,20)