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

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

CCOC(=O)CCCCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-4-28-19(25)13-9-6-10-14-24-18(15-17-11-7-5-8-12-17)20(16(2)3)21(26)23-22(24)27/h5,7-8,11-12,16H,4,6,9-10,13-15H2,1-3H3,(H,23,26,27)