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

Systemtic Name: cyclohexylmethyl 2-[5-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CC(=O)OCC3CCCCC3)O)O

Isomeric SMILES

C#CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CC(=O)OCC3CCCCC3)O)O

InChI

InChI=1S/C19H25N3O6/c1-2-12-9-22(19(26)21-17(12)20)18-16(25)15(24)13(28-18)8-14(23)27-10-11-6-4-3-5-7-11/h1,9,11,13,15-16,18,24-25H,3-8,10H2,(H2,20,21,26)