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

Systemtic Name: pentyl 4-[2-[6-methyl-5-(2-methylprop-2-enyl)-4-oxidanylidene-1H-pyrimidin-2-yl]hydrazinyl]benzoate Openeye Name: pentyl 4-[2-[6-methyl-5-(2-methylallyl)-4-oxo-1H-pyrimidin-2-yl]hydrazino]benzoate CAS Name: 4-[[6-methyl-5-(2-methylprop-2-enyl)-4-oxo-1H-pyrimidin-2-yl]hydrazo]benzoic acid pentyl ester IUPAC Name: pentyl 4-[2-[6-methyl-5-(2-methylprop-2-enyl)-4-oxo-1H-pyrimidin-2-yl]hydrazinyl]benzoate Traditional Name: 4-[N'-[4-keto-6-methyl-5-(2-methylallyl)-1H-pyrimidin-2-yl]hydrazino]benzoic acid amyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NNC2=NC(=O)C(=C(N2)C)CC(=C)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NNC2=NC(=O)C(=C(N2)C)CC(=C)C

InChI

InChI=1S/C21H28N4O3/c1-5-6-7-12-28-20(27)16-8-10-17(11-9-16)24-25-21-22-15(4)18(13-14(2)3)19(26)23-21/h8-11,24H,2,5-7,12-13H2,1,3-4H3,(H2,22,23,25,26)