3-[[(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile

Systemtic Name: 3-[[(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile Openeye Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile CAS Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile IUPAC Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile Traditional Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-diketo-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)thiophosphoryl]oxypropionitrile Formula: C22H23N4O9PS MolecularWeight: 550.478181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)OP(=S)(OCCC#N)OCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=S)(OCCC#N)OCCC#N

InChI

InChI=1S/C22H23N4O9PS/c23-9-4-12-32-36(37,33-13-5-10-24)35-19-18(29)16(14-27)34-21(19)25-11-8-17(28)26(22(25)31)20(30)15-6-2-1-3-7-15/h1-3,6-8,11,16,18-19,21,27,29H,4-5,12-14H2/t16-,18-,19-,21-/m1/s1