ethyl 4-[2,4-bis(oxidanylidene)-6-(phenylmethyl)-5-propan-2-yl-pyrimidin-1-yl]butanoate

Systemtic Name: ethyl 4-[2,4-bis(oxidanylidene)-6-(phenylmethyl)-5-propan-2-yl-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)butanoate CAS Name: 4-[2,4-dioxo-6-(phenylmethyl)-5-propan-2-yl-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)butanoate Traditional Name: 4-(6-benzyl-5-isopropyl-2,4-diketo-pyrimidin-1-yl)butyric acid ethyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4/c1-4-26-17(23)11-8-12-22-16(13-15-9-6-5-7-10-15)18(14(2)3)19(24)21-20(22)25/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,21,24,25)