[5-[4-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[4-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-[4-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-[2-oxo-4-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]-1-pyrimidinyl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-[4-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-[2-keto-4-[[(9E,12E)-octadeca-9,12-dienoyl]amino]pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C27H44N3O9P MolecularWeight: 585.626721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O

InChI

InChI=1S/C27H44N3O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-22-18-19-30(27(34)29-22)26-25(33)24(32)21(39-26)20-38-40(35,36)37/h6-7,9-10,18-19,21,24-26,32-33H,2-5,8,11-17,20H2,1H3,(H2,35,36,37)(H,28,29,31,34)/b7-6+,10-9+