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

Systemtic Name: [5-[6-[2,2-bis(4-chlorophenyl)ethylamino]-2-cyano-purin-9-yl]-2-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Openeye Name: [5-[6-[2,2-bis(4-chlorophenyl)ethylamino]-2-cyano-purin-9-yl]-2-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [5-[6-[2,2-bis(4-chlorophenyl)ethylamino]-2-cyano-9-purinyl]-2-(ethylcarbamoyl)-4-[3-furanyloxy(oxo)methyl]-1-cyclohex-2-enyl] ester IUPAC Name: [5-[6-[2,2-bis(4-chlorophenyl)ethylamino]-2-cyanopurin-9-yl]-2-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [5-[6-[2,2-bis(4-chlorophenyl)ethylamino]-2-cyano-purin-9-yl]-2-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] ester Formula: C41H33Cl2N7O6 MolecularWeight: 790.65002

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(C(CC1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C#N)C(=O)OC7=COC=C7

Isomeric SMILES

CCNC(=O)C1=CC(C(CC1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C#N)C(=O)OC7=COC=C7

InChI

InChI=1S/C41H33Cl2N7O6/c1-2-45-39(51)31-18-30(41(53)55-29-16-17-54-22-29)33(19-34(31)56-40(52)26-6-4-3-5-7-26)50-23-47-36-37(48-35(20-44)49-38(36)50)46-21-32(24-8-12-27(42)13-9-24)25-10-14-28(43)15-11-25/h3-18,22-23,30,32-34H,2,19,21H2,1H3,(H,45,51)(H,46,48,49)