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

Systemtic Name: methyl 2-[2-(octadecanoylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[2-(octadecanoylamino)-4-oxo-1H-pyrimidin-6-yl]-2-oxo-acetate CAS Name: 2-oxo-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]-2-oxoacetate Traditional Name: 2-keto-2-(4-keto-2-stearamido-1H-pyrimidin-6-yl)acetic acid methyl ester Formula: C25H41N3O5 MolecularWeight: 463.61014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(29)27-25-26-20(19-22(30)28-25)23(31)24(32)33-2/h19H,3-18H2,1-2H3,(H2,26,27,28,29,30)