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

Systemtic Name: 3-methylbutyl 4-[2-(5-cyclopentyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(5-cyclopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[(5-cyclopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(5-cyclopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(5-cyclopentyl-4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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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)C3CCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)C3CCCC3

InChI

InChI=1S/C22H30N4O3/c1-14(2)12-13-29-21(28)17-8-10-18(11-9-17)25-26-22-23-15(3)19(20(27)24-22)16-6-4-5-7-16/h8-11,14,16,25H,4-7,12-13H2,1-3H3,(H2,23,24,26,27)