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

Systemtic Name: methyl 2-[4-[[6-butyl-2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-butyl-2-[(E)-dimethylaminomethyleneamino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-butyl-2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-butyl-2-[(E)-dimethylaminomethyleneamino]-4-keto-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-5-6-11-23-22(24(31)29-26(28-23)27-17-30(2)3)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(32)33-4/h7-10,12-15,17H,5-6,11,16H2,1-4H3,(H,28,29,31)/b27-17+