calcium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanidyl-oxidanylidene-phosphanium

Systemtic Name: calcium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanidyl-oxidanylidene-phosphanium Openeye Name: calcium [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-oxo-phosphonium CAS Name: calcium [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxido-oxophosphonium IUPAC Name: calcium [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxido-oxophosphanium Traditional Name: calcium [3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-keto-oxido-phosphonium Formula: C20H24CaN10O12P2+2 MolecularWeight: 698.489882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)[O-])N=[N+]=[N-].CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)[O-])N=[N+]=[N-].[Ca+2]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)[O-])N=[N+]=[N-].CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)[O-])N=[N+]=[N-].[Ca+2]

InChI

InChI=1S/2C10H12N5O6P.Ca/c2*1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(21-8)4-20-22(18)19;/h2*3,6-8H,2,4H2,1H3,(H,12,16,17);/q;;+2