N6-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine

Systemtic Name: N6-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: N6-ethyl-8-(2-furyl)-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine CAS Name: N6-ethyl-8-(2-furanyl)-9-(4-methoxyphenyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 6-N-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: ethyl-[8-(2-furyl)-9-(4-methoxyphenyl)-2-(phenethylamino)purin-6-yl]amine Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)NCCC5=CC=CC=C5

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2/c1-3-27-23-22-25(31-26(30-23)28-16-15-18-8-5-4-6-9-18)32(19-11-13-20(33-2)14-12-19)24(29-22)21-10-7-17-34-21/h4-14,17H,3,15-16H2,1-2H3,(H2,27,28,30,31)