S-[2-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2-methylpropanethioate

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-methylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2-methylpropanethioate Openeye Name: S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[2-[(2-methyl-1-oxopropyl)thio]ethoxy]phosphino]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-methylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-(isobutyrylthio)ethoxy]phosphino]oxyethyl] ester Formula: C22H34N5O8PS2 MolecularWeight: 591.637821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N5O8PS2/c1-13(2)20(29)37-8-6-32-36(33-7-9-38-21(30)14(3)4)34-12-17-16(25-26-23)10-18(35-17)27-11-15(5)19(28)24-22(27)31/h11,13-14,16-18H,6-10,12H2,1-5H3,(H,24,28,31)/t16-,17+,18+/m0/s1