pentyl 4-[[6-methyl-4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: pentyl 4-[[6-methyl-4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: pentyl 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-keto-6-methyl-5-(2,4,6-trimethylbenzyl)-1H-pyrimidin-2-yl]amino]benzoic acid amyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C27H33N3O3/c1-6-7-8-13-33-26(32)21-9-11-22(12-10-21)29-27-28-20(5)24(25(31)30-27)16-23-18(3)14-17(2)15-19(23)4/h9-12,14-15H,6-8,13,16H2,1-5H3,(H2,28,29,30,31)