8-(furan-2-yl)-N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine

Systemtic Name: 8-(furan-2-yl)-N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine Openeye Name: 8-(2-furyl)-N2-phenethyl-9-prop-2-ynyl-purine-2,6-diamine CAS Name: 8-(2-furanyl)-N2-phenethyl-9-prop-2-ynylpurine-2,6-diamine IUPAC Name: 8-(furan-2-yl)-2-N-phenethyl-9-prop-2-ynylpurine-2,6-diamine Traditional Name: [6-amino-8-(2-furyl)-9-propargyl-purin-2-yl]-phenethyl-amine Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

C#CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C20H18N6O/c1-2-12-26-18(15-9-6-13-27-15)23-16-17(21)24-20(25-19(16)26)22-11-10-14-7-4-3-5-8-14/h1,3-9,13H,10-12H2,(H3,21,22,24,25)