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

Systemtic Name: butyl 4-[2-(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)hydrazinyl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-4-6-8-9-18-15(3)22-21(23-19(18)26)25-24-17-12-10-16(11-13-17)20(27)28-14-7-5-2/h10-13,24H,4-9,14H2,1-3H3,(H2,22,23,25,26)