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

Systemtic Name: 3-acetamidopropyl 2-[5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: 3-acetamidopropyl 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 3-acetamidopropyl ester IUPAC Name: 3-acetamidopropyl 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 3-acetamidopropyl ester Formula: C15H21IN4O7 MolecularWeight: 496.25431

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCOC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O)O

Isomeric SMILES

CC(=O)NCCCOC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O)O

InChI

InChI=1S/C15H21IN4O7/c1-7(21)18-3-2-4-26-10(22)5-9-11(23)12(24)14(27-9)20-6-8(16)13(17)19-15(20)25/h6,9,11-12,14,23-24H,2-5H2,1H3,(H,18,21)(H2,17,19,25)