cyclohexylmethyl 2-[5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate

Systemtic Name: cyclohexylmethyl 2-[5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: cyclohexylmethyl 2-[5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetate CAS Name: 2-[5-(4-amino-5-iodo-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetate Traditional Name: 2-[5-(4-amino-5-iodo-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid cyclohexylmethyl ester Formula: C17H24IN3O6 MolecularWeight: 493.29343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)CC2C(C(C(O2)N3C=C(C(=NC3=O)N)I)O)O

Isomeric SMILES

C1CCC(CC1)COC(=O)CC2C(C(C(O2)N3C=C(C(=NC3=O)N)I)O)O

InChI

InChI=1S/C17H24IN3O6/c18-10-7-21(17(25)20-15(10)19)16-14(24)13(23)11(27-16)6-12(22)26-8-9-4-2-1-3-5-9/h7,9,11,13-14,16,23-24H,1-6,8H2,(H2,19,20,25)