[2-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-5-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate

Systemtic Name: [2-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-5-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Openeye Name: [2-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-5-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [2-[2-cyano-6-(2,2-diphenylethylamino)-9-purinyl]-5-(ethylcarbamoyl)-4-[3-furanyloxy(oxo)methyl]-1-cyclohex-2-enyl] ester IUPAC Name: [2-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-5-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [2-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-5-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] ester Formula: C41H35N7O6 MolecularWeight: 721.7599

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C(=CC1C(=O)OC2=COC=C2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)C#N)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CCNC(=O)C1CC(C(=CC1C(=O)OC2=COC=C2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)C#N)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C41H35N7O6/c1-2-43-39(49)30-21-34(54-40(50)28-16-10-5-11-17-28)33(20-31(30)41(51)53-29-18-19-52-24-29)48-25-45-36-37(46-35(22-42)47-38(36)48)44-23-32(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-20,24-25,30-32,34H,2,21,23H2,1H3,(H,43,49)(H,44,46,47)