S-[2-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[2-(2-methyl-2-oxidanyl-propanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 2-methyl-2-oxidanyl-propanethioate

Systemtic Name: S-[2-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[2-(2-methyl-2-oxidanyl-propanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 2-methyl-2-oxidanyl-propanethioate Openeye Name: S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-(2-hydroxy-2-methyl-propanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 2-hydroxy-2-methyl-propanethioate CAS Name: 2-hydroxy-2-methylpropanethioic acid S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[2-[(2-hydroxy-2-methyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2-hydroxy-2-methylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 2-hydroxy-2-methylpropanethioate Traditional Name: 2-hydroxy-2-methyl-propanethioic acid S-[2-[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-[(2-hydroxy-2-methyl-propanoyl)thio]ethoxy]phosphoryl]oxyethyl] ester Formula: C22H34N5O11PS2 MolecularWeight: 639.636021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCSC(=O)C(C)(C)O)OCCSC(=O)C(C)(C)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)O)OCCSC(=O)C(C)(C)O)N=[N+]=[N-]

InChI

InChI=1S/C22H34N5O11PS2/c1-13-11-27(20(31)24-17(13)28)16-10-14(25-26-23)15(38-16)12-37-39(34,35-6-8-40-18(29)21(2,3)32)36-7-9-41-19(30)22(4,5)33/h11,14-16,32-33H,6-10,12H2,1-5H3,(H,24,28,31)/t14-,15+,16+/m0/s1