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

Systemtic Name: 3-methylbutyl 4-[2-(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(5-butyl-4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C21H30N4O3/c1-5-6-7-18-15(4)22-21(23-19(18)26)25-24-17-10-8-16(9-11-17)20(27)28-13-12-14(2)3/h8-11,14,24H,5-7,12-13H2,1-4H3,(H2,22,23,25,26)