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

Systemtic Name: ethyl 2-[2,4-bis(oxidanylidene)-6-(phenylmethyl)-5-propan-2-yl-pyrimidin-1-yl]pentanoate Openeye Name: ethyl 2-(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)pentanoate CAS Name: 2-[2,4-dioxo-6-(phenylmethyl)-5-propan-2-yl-1-pyrimidinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)pentanoate Traditional Name: 2-(6-benzyl-5-isopropyl-2,4-diketo-pyrimidin-1-yl)valeric acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-5-10-16(20(25)27-6-2)23-17(13-15-11-8-7-9-12-15)18(14(3)4)19(24)22-21(23)26/h7-9,11-12,14,16H,5-6,10,13H2,1-4H3,(H,22,24,26)