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

Systemtic Name: 3-methylbutyl 4-[2-(6-methyl-4-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(4-keto-6-methyl-5-propyl-1H-pyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C20H28N4O3/c1-5-6-17-14(4)21-20(22-18(17)25)24-23-16-9-7-15(8-10-16)19(26)27-12-11-13(2)3/h7-10,13,23H,5-6,11-12H2,1-4H3,(H2,21,22,24,25)