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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] (E)-octadec-9-enoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C27H45N3O6 MolecularWeight: 507.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(OC(C1O)N2C=CC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1C(OC(C1O)N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)36-25-21(20-31)35-26(24(25)33)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,31,33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+