3-methylbutyl (2E)-2-(2,4-dimethyl-6-oxidanylidene-pyrimidin-5-ylidene)hexanoate

Systemtic Name: 3-methylbutyl (2E)-2-(2,4-dimethyl-6-oxidanylidene-pyrimidin-5-ylidene)hexanoate Openeye Name: isopentyl (2E)-2-(2,4-dimethyl-6-oxo-pyrimidin-5-ylidene)hexanoate CAS Name: (2E)-2-(2,4-dimethyl-6-oxo-5-pyrimidinylidene)hexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2E)-2-(2,4-dimethyl-6-oxopyrimidin-5-ylidene)hexanoate Traditional Name: (2E)-2-(4-keto-2,6-dimethyl-pyrimidin-5-ylidene)hexanoic acid isoamyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=NC(=NC1=O)C)C)C(=O)OCCC(C)C

Isomeric SMILES

CCCC/C(=C\1/C(=NC(=NC1=O)C)C)/C(=O)OCCC(C)C

InChI

InChI=1S/C17H26N2O3/c1-6-7-8-14(17(21)22-10-9-11(2)3)15-12(4)18-13(5)19-16(15)20/h11H,6-10H2,1-5H3/b15-14+