furan-3-yl 3-(ethylcarbamoyl)-6-[(2-methylpropylsulfonylamino)methyl]-1-purin-9-yl-cyclohex-2-ene-1-carboxylate

Systemtic Name: furan-3-yl 3-(ethylcarbamoyl)-6-[(2-methylpropylsulfonylamino)methyl]-1-purin-9-yl-cyclohex-2-ene-1-carboxylate Openeye Name: 3-furyl 3-(ethylcarbamoyl)-6-[(isobutylsulfonylamino)methyl]-1-purin-9-yl-cyclohex-2-ene-1-carboxylate CAS Name: 3-(ethylcarbamoyl)-6-[(2-methylpropylsulfonylamino)methyl]-1-(9-purinyl)-1-cyclohex-2-enecarboxylic acid 3-furanyl ester IUPAC Name: furan-3-yl 3-(ethylcarbamoyl)-6-[(2-methylpropylsulfonylamino)methyl]-1-purin-9-ylcyclohex-2-ene-1-carboxylate Traditional Name: 3-(ethylcarbamoyl)-6-[(isobutylsulfonylamino)methyl]-1-purin-9-yl-cyclohex-2-ene-1-carboxylic acid 3-furyl ester Formula: C24H30N6O6S MolecularWeight: 530.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(C(CC1)CNS(=O)(=O)CC(C)C)(C(=O)OC2=COC=C2)N3C=NC4=CN=CN=C43

Isomeric SMILES

CCNC(=O)C1=CC(C(CC1)CNS(=O)(=O)CC(C)C)(C(=O)OC2=COC=C2)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C24H30N6O6S/c1-4-26-22(31)17-5-6-18(10-29-37(33,34)13-16(2)3)24(9-17,23(32)36-19-7-8-35-12-19)30-15-28-20-11-25-14-27-21(20)30/h7-9,11-12,14-16,18,29H,4-6,10,13H2,1-3H3,(H,26,31)