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

Systemtic Name: methyl 2-[4-[[6-butyl-2-(cyanoamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-butyl-2-(cyanoamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-2-(cyanoamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-butyl-2-(cyanoamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-butyl-2-(cyanoamino)-4-keto-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC#N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC#N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H24N4O3/c1-3-4-9-21-20(22(29)28-24(27-21)26-15-25)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(30)31-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H2,26,27,28,29)