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

Systemtic Name: 3-methylbutyl 4-[2-[6-methyl-5-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(5-isobutyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]hydrazinyl]benzoate Traditional Name: 4-[N'-(5-isobutyl-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:

CC1=C(C(=O)N=C(N1)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)CC(C)C

InChI

InChI=1S/C21H30N4O3/c1-13(2)10-11-28-20(27)16-6-8-17(9-7-16)24-25-21-22-15(5)18(12-14(3)4)19(26)23-21/h6-9,13-14,24H,10-12H2,1-5H3,(H2,22,23,25,26)