[(2S,4S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (E)-octadec-6-enoate

Systemtic Name: [(2S,4S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (E)-octadec-6-enoate Openeye Name: [(2S,4S)-4-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (E)-octadec-6-enoate CAS Name: (E)-6-octadecenoic acid [(2S,4S)-4-(4-amino-2-oxo-1-pyrimidinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (E)-octadec-6-enoate Traditional Name: (E)-octadec-6-enoic acid [(2S,4S)-4-(4-amino-2-keto-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C26H43N3O5 MolecularWeight: 477.63672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCCCCC(=O)OCC1OCC(O1)N2C=CC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCC/C=C/CCCCC(=O)OC[C@H]1OC[C@H](O1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C26H43N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)32-21-25-33-20-23(34-25)29-19-18-22(27)28-26(29)31/h12-13,18-19,23,25H,2-11,14-17,20-21H2,1H3,(H2,27,28,31)/b13-12+/t23-,25-/m0/s1