pentyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: pentyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: pentyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]acetic acid pentyl ester IUPAC Name: pentyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate Traditional Name: 2-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)acetic acid amyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCOC(=O)CC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C18H22N2O4/c1-2-3-7-10-24-16(21)12-14-17(22)19-15(20-18(14)23)11-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,19,20,22,23)