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

Systemtic Name: 8-(furan-2-yl)-9-(2-methylpropyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-(2-furyl)-9-isobutyl-N2-phenethyl-purine-2,6-diamine CAS Name: 8-(2-furanyl)-9-(2-methylpropyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-(furan-2-yl)-9-(2-methylpropyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-8-(2-furyl)-9-isobutyl-purin-2-yl]-phenethyl-amine Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C21H24N6O/c1-14(2)13-27-19(16-9-6-12-28-16)24-17-18(22)25-21(26-20(17)27)23-11-10-15-7-4-3-5-8-15/h3-9,12,14H,10-11,13H2,1-2H3,(H3,22,23,25,26)