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

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

CCOC(=O)CCCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-4-27-18(24)12-8-9-13-23-17(14-16-10-6-5-7-11-16)19(15(2)3)20(25)22-21(23)26/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3,(H,22,25,26)