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

Systemtic Name: 3-methylbutyl 4-[2-(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(5-amyl-4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C22H32N4O3/c1-5-6-7-8-19-16(4)23-22(24-20(19)27)26-25-18-11-9-17(10-12-18)21(28)29-14-13-15(2)3/h9-12,15,25H,5-8,13-14H2,1-4H3,(H2,23,24,26,27)