[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-oxolan-2-yl]methyl (E)-octadec-9-enoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-oxolan-2-yl]methyl (E)-octadec-9-enoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-[(E)-octadec-9-enoyl]oxy-tetrahydrofuran-2-yl]methyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-3-[(E)-1-oxooctadec-9-enoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-[(E)-octadec-9-enoyl]oxyoxolan-2-yl]methyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-3-[(E)-octadec-9-enoyl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C45H77N3O7 MolecularWeight: 772.10878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H77N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(49)53-37-38-43(42(51)44(54-38)48-36-35-39(46)47-45(48)52)55-41(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36,38,42-44,51H,3-16,21-34,37H2,1-2H3,(H2,46,47,52)/b19-17+,20-18+