[5-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(4-amino-5-ethynyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-(4-amino-5-ethynyl-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(4-amino-5-ethynyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-(4-amino-5-ethynyl-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C11H14N3O8P MolecularWeight: 347.217921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N3O8P/c1-2-5-3-14(11(17)13-9(5)12)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h1,3,6-8,10,15-16H,4H2,(H2,12,13,17)(H2,18,19,20)