N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine

Systemtic Name: N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine Openeye Name: N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine CAS Name: N2-phenethyl-9-prop-2-ynylpurine-2,6-diamine IUPAC Name: 2-N-phenethyl-9-prop-2-ynylpurine-2,6-diamine Traditional Name: (6-amino-9-propargyl-purin-2-yl)-phenethyl-amine Formula: C16H16N6 MolecularWeight: 292.33844

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)NCCC3=CC=CC=C3

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H16N6/c1-2-10-22-11-19-13-14(17)20-16(21-15(13)22)18-9-8-12-6-4-3-5-7-12/h1,3-7,11H,8-10H2,(H3,17,18,20,21)