N2-(3-phenylpropyl)-9-prop-2-ynyl-purine-2,6-diamine

Systemtic Name: N2-(3-phenylpropyl)-9-prop-2-ynyl-purine-2,6-diamine Openeye Name: N2-(3-phenylpropyl)-9-prop-2-ynyl-purine-2,6-diamine CAS Name: N2-(3-phenylpropyl)-9-prop-2-ynylpurine-2,6-diamine IUPAC Name: 2-N-(3-phenylpropyl)-9-prop-2-ynylpurine-2,6-diamine Traditional Name: (6-amino-9-propargyl-purin-2-yl)-(3-phenylpropyl)amine Formula: C17H18N6 MolecularWeight: 306.36502

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)NCCCC3=CC=CC=C3

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)NCCCC3=CC=CC=C3

InChI

InChI=1S/C17H18N6/c1-2-11-23-12-20-14-15(18)21-17(22-16(14)23)19-10-6-9-13-7-4-3-5-8-13/h1,3-5,7-8,12H,6,9-11H2,(H3,18,19,21,22)