[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-icosoxycarbonyl-phosphinic acid

Systemtic Name: [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-icosoxycarbonyl-phosphinic acid Openeye Name: [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-icosoxycarbonyl-phosphinic acid CAS Name: [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[eicosoxy(oxo)methyl]phosphinic acid IUPAC Name: [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-icosoxycarbonylphosphinic acid Traditional Name: arachyloxycarbonyl-[[3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinic acid Formula: C31H54N5O8P MolecularWeight: 655.762921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

InChI

InChI=1S/C31H54N5O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42-31(39)45(40,41)43-24-27-26(34-35-32)22-28(44-27)36-23-25(2)29(37)33-30(36)38/h23,26-28H,3-22,24H2,1-2H3,(H,40,41)(H,33,37,38)