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

Systemtic Name: butyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-2-3-9-23-15(20)11-13-16(21)18-14(19-17(13)22)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,18,19,21,22)