4-[[2-(2,6-diethylphenyl)-5-heptan-4-yl-pyrimidin-4-yl]amino]-2-oxidanyl-benzamide

Systemtic Name: 4-[[2-(2,6-diethylphenyl)-5-heptan-4-yl-pyrimidin-4-yl]amino]-2-oxidanyl-benzamide Openeye Name: 4-[[2-(2,6-diethylphenyl)-5-(1-propylbutyl)pyrimidin-4-yl]amino]-2-hydroxy-benzamide CAS Name: 4-[[2-(2,6-diethylphenyl)-5-heptan-4-yl-4-pyrimidinyl]amino]-2-hydroxybenzamide IUPAC Name: 4-[[2-(2,6-diethylphenyl)-5-heptan-4-ylpyrimidin-4-yl]amino]-2-hydroxybenzamide Traditional Name: 4-[[2-(2,6-diethylphenyl)-5-(1-propylbutyl)pyrimidin-4-yl]amino]-2-hydroxy-benzamide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CN=C(N=C1NC2=CC(=C(C=C2)C(=O)N)O)C3=C(C=CC=C3CC)CC

Isomeric SMILES

CCCC(CCC)C1=CN=C(N=C1NC2=CC(=C(C=C2)C(=O)N)O)C3=C(C=CC=C3CC)CC

InChI

InChI=1S/C28H36N4O2/c1-5-10-20(11-6-2)23-17-30-28(25-18(7-3)12-9-13-19(25)8-4)32-27(23)31-21-14-15-22(26(29)34)24(33)16-21/h9,12-17,20,33H,5-8,10-11H2,1-4H3,(H2,29,34)(H,30,31,32)