4-azanyl-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; (E)-octadec-9-enoic acid

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; (E)-octadec-9-enoic acid Openeye Name: 4-amino-1-[5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; (E)-octadec-9-enoic acid CAS Name: 4-amino-1-[5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone; (E)-9-octadecenoic acid IUPAC Name: 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; (E)-octadec-9-enoic acid Traditional Name: 4-amino-1-(5-methyloltetrahydrofuran-2-yl)pyrimidin-2-one; elaidic acid Formula: C27H47N3O5 MolecularWeight: 493.67918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C1CC(OC1CO)N2C=CC(=NC2=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.C1CC(OC1CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C18H34O2.C9H13N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/b10-9+;