[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-4-phosphonooxy-2-oxolanyl]methyl [(2S)-1-nitroso-2-pyrrolidinyl] hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate Formula: C13H20N4O13P2 MolecularWeight: 502.264422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)N=O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)OP(=O)(O)O)O

Isomeric SMILES

C1C[C@@H](N(C1)N=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)OP(=O)(O)O)O

InChI

InChI=1S/C13H20N4O13P2/c18-8-3-5-16(13(20)14-8)12-11(30-31(22,23)24)10(19)7(28-12)6-27-32(25,26)29-9-2-1-4-17(9)15-21/h3,5,7,9-12,19H,1-2,4,6H2,(H,25,26)(H,14,18,20)(H2,22,23,24)/t7-,9+,10-,11-,12-/m1/s1