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

Systemtic Name: cyclohexyl 2-[5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C16H22IN3O6 MolecularWeight: 479.26685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22IN3O6/c17-9-7-20(16(24)19-14(9)18)15-13(23)12(22)10(26-15)6-11(21)25-8-4-2-1-3-5-8/h7-8,10,12-13,15,22-23H,1-6H2,(H2,18,19,24)