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

Systemtic Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 9-(cyclohexylmethyl)-8-(2-furyl)-N2-phenethyl-purine-2,6-diamine CAS Name: 9-(cyclohexylmethyl)-8-(2-furanyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-9-(cyclohexylmethyl)-8-(2-furyl)purin-2-yl]-phenethyl-amine Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C24H28N6O/c25-21-20-23(29-24(28-21)26-14-13-17-8-3-1-4-9-17)30(16-18-10-5-2-6-11-18)22(27-20)19-12-7-15-31-19/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H3,25,26,28,29)