3-methylbutyl 4-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinyl]benzoate

Systemtic Name: 3-methylbutyl 4-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C19H26N4O3/c1-5-16-13(4)20-19(21-17(16)24)23-22-15-8-6-14(7-9-15)18(25)26-11-10-12(2)3/h6-9,12,22H,5,10-11H2,1-4H3,(H2,20,21,23,24)