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

Systemtic Name: 9-decyl-8-(furan-2-yl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 9-decyl-8-(2-furyl)-N2-phenethyl-purine-2,6-diamine CAS Name: 9-decyl-8-(2-furanyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 9-decyl-8-(furan-2-yl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-9-decyl-8-(2-furyl)purin-2-yl]-phenethyl-amine Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C27H36N6O/c1-2-3-4-5-6-7-8-12-19-33-25(22-16-13-20-34-22)30-23-24(28)31-27(32-26(23)33)29-18-17-21-14-10-9-11-15-21/h9-11,13-16,20H,2-8,12,17-19H2,1H3,(H3,28,29,31,32)