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

Systemtic Name: 8-bromanyl-N2-(3-phenylpropyl)-9-prop-2-ynyl-purine-2,6-diamine Openeye Name: 8-bromo-N2-(3-phenylpropyl)-9-prop-2-ynyl-purine-2,6-diamine CAS Name: 8-bromo-N2-(3-phenylpropyl)-9-prop-2-ynylpurine-2,6-diamine IUPAC Name: 8-bromo-2-N-(3-phenylpropyl)-9-prop-2-ynylpurine-2,6-diamine Traditional Name: (6-amino-8-bromo-9-propargyl-purin-2-yl)-(3-phenylpropyl)amine Formula: C17H17BrN6 MolecularWeight: 385.26108

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

C#CCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C17H17BrN6/c1-2-11-24-15-13(21-16(24)18)14(19)22-17(23-15)20-10-6-9-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2,(H3,19,20,22,23)