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

Systemtic Name: [5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Openeye Name: [5-(6-chloro-2-iodo-purin-9-yl)-2-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [5-(6-chloro-2-iodo-9-purinyl)-2-(ethylcarbamoyl)-4-[3-furanyloxy(oxo)methyl]-1-cyclohex-2-enyl] ester IUPAC Name: [5-(6-chloro-2-iodopurin-9-yl)-2-(ethylcarbamoyl)-4-(furan-3-yloxycarbonyl)cyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [5-(6-chloro-2-iodo-purin-9-yl)-2-(ethylcarbamoyl)-4-(3-furyloxycarbonyl)cyclohex-2-en-1-yl] ester Formula: C26H21ClIN5O6 MolecularWeight: 661.83231

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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=C4Cl)I)C(=O)OC5=COC=C5

Isomeric SMILES

CCNC(=O)C1=CC(C(CC1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4Cl)I)C(=O)OC5=COC=C5

InChI

InChI=1S/C26H21ClIN5O6/c1-2-29-23(34)17-10-16(25(36)38-15-8-9-37-12-15)18(11-19(17)39-24(35)14-6-4-3-5-7-14)33-13-30-20-21(27)31-26(28)32-22(20)33/h3-10,12-13,16,18-19H,2,11H2,1H3,(H,29,34)