furan-3-yl 6-azanyl-6-chloranyl-3-(ethylcarbamoyl)-4-(phenylcarbonyloxy)-2-purin-9-yl-cyclohex-2-ene-1-carboxylate

Systemtic Name: furan-3-yl 6-azanyl-6-chloranyl-3-(ethylcarbamoyl)-4-(phenylcarbonyloxy)-2-purin-9-yl-cyclohex-2-ene-1-carboxylate Openeye Name: 3-furyl 6-amino-4-benzoyloxy-6-chloro-3-(ethylcarbamoyl)-2-purin-9-yl-cyclohex-2-ene-1-carboxylate CAS Name: 6-amino-4-benzoyloxy-6-chloro-3-(ethylcarbamoyl)-2-(9-purinyl)-1-cyclohex-2-enecarboxylic acid 3-furanyl ester IUPAC Name: furan-3-yl 6-amino-4-benzoyloxy-6-chloro-3-(ethylcarbamoyl)-2-purin-9-ylcyclohex-2-ene-1-carboxylate Traditional Name: 6-amino-4-benzoyloxy-6-chloro-3-(ethylcarbamoyl)-2-purin-9-yl-cyclohex-2-ene-1-carboxylic acid 3-furyl ester Formula: C26H23ClN6O6 MolecularWeight: 550.95042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C(C(CC1OC(=O)C2=CC=CC=C2)(N)Cl)C(=O)OC3=COC=C3)N4C=NC5=CN=CN=C54

Isomeric SMILES

CCNC(=O)C1=C(C(C(CC1OC(=O)C2=CC=CC=C2)(N)Cl)C(=O)OC3=COC=C3)N4C=NC5=CN=CN=C54

InChI

InChI=1S/C26H23ClN6O6/c1-2-30-23(34)19-18(39-24(35)15-6-4-3-5-7-15)10-26(27,28)20(25(36)38-16-8-9-37-12-16)21(19)33-14-32-17-11-29-13-31-22(17)33/h3-9,11-14,18,20H,2,10,28H2,1H3,(H,30,34)