3-[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-(4-sec-butylphenyl)ethyl]pyrimidine-5-carbonitrile CAS Name: 3-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 1-ethyl-2,4-diketo-3-[2-keto-2-(4-sec-butylphenyl)ethyl]pyrimidine-5-carbonitrile Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CN2C(=O)C(=CN(C2=O)CC)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CN2C(=O)C(=CN(C2=O)CC)C#N

InChI

InChI=1S/C19H21N3O3/c1-4-13(3)14-6-8-15(9-7-14)17(23)12-22-18(24)16(10-20)11-21(5-2)19(22)25/h6-9,11,13H,4-5,12H2,1-3H3