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

Systemtic Name: 2-methylpropyl 2-[5-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: isobutyl 2-[5-(4-amino-5-ethynyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetate CAS Name: 2-[5-(4-amino-5-ethynyl-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(4-amino-5-ethynyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetate Traditional Name: 2-[5-(4-amino-5-ethynyl-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid isobutyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)C#C)O)O

Isomeric SMILES

CC(C)COC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)C#C)O)O

InChI

InChI=1S/C16H21N3O6/c1-4-9-6-19(16(23)18-14(9)17)15-13(22)12(21)10(25-15)5-11(20)24-7-8(2)3/h1,6,8,10,12-13,15,21-22H,5,7H2,2-3H3,(H2,17,18,23)