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

Systemtic Name: butyl 2-[5-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)C#C)O)O

Isomeric SMILES

CCCCOC(=O)CC1C(C(C(O1)N2C=C(C(=NC2=O)N)C#C)O)O

InChI

InChI=1S/C16H21N3O6/c1-3-5-6-24-11(20)7-10-12(21)13(22)15(25-10)19-8-9(4-2)14(17)18-16(19)23/h2,8,10,12-13,15,21-22H,3,5-7H2,1H3,(H2,17,18,23)