methyl 2-[2-(octadecanoylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(octadecanoylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(octadecanoylamino)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-(1-oxooctadecylamino)-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(octadecanoylamino)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-(4-keto-2-stearamido-1H-pyrimidin-6-yl)acetic acid methyl ester Formula: C25H43N3O4 MolecularWeight: 449.62662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C25H43N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(29)27-25-26-21(19-23(30)28-25)20-24(31)32-2/h19H,3-18,20H2,1-2H3,(H2,26,27,28,29,30)