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

Systemtic Name: pentyl 4-[2-(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl 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)OCCCCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-4-6-8-10-19-16(3)23-22(24-20(19)27)26-25-18-13-11-17(12-14-18)21(28)29-15-9-7-5-2/h11-14,25H,4-10,15H2,1-3H3,(H2,23,24,26,27)