[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate; calcium

Systemtic Name: [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate; calcium Openeye Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2S,5R)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate; calcium CAS Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl [(2S,5R)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl hydrogen phosphate; calcium IUPAC Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,5R)-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate; calcium Traditional Name: [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2S,5R)-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate; calcium Formula: C20H24CaN9O9P MolecularWeight: 605.511221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3CCC(O3)N4C=NC5=C4NC=NC5=O)N=[N+]=[N-].[Ca]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C4NC=NC5=O)N=[N+]=[N-].[Ca]

InChI

InChI=1S/C20H24N9O9P.Ca/c1-10-5-28(20(32)25-18(10)30)15-4-12(26-27-21)13(38-15)7-36-39(33,34)35-6-11-2-3-14(37-11)29-9-24-16-17(29)22-8-23-19(16)31;/h5,8-9,11-15H,2-4,6-7H2,1H3,(H,33,34)(H,22,23,31)(H,25,30,32);/t11-,12-,13+,14+,15+;/m0./s1