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

Systemtic Name: ethyl 2-[2,4-bis(oxidanylidene)-6-(phenylmethyl)-5-propan-2-yl-pyrimidin-1-yl]hexanoate Openeye Name: ethyl 2-(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)hexanoate CAS Name: 2-[2,4-dioxo-6-(phenylmethyl)-5-propan-2-yl-1-pyrimidinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)hexanoate Traditional Name: 2-(6-benzyl-5-isopropyl-2,4-diketo-pyrimidin-1-yl)hexanoic acid ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OCC)N1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-5-7-13-17(21(26)28-6-2)24-18(14-16-11-9-8-10-12-16)19(15(3)4)20(25)23-22(24)27/h8-12,15,17H,5-7,13-14H2,1-4H3,(H,23,25,27)