(2E)-2-[[[4-(4-tert-butylphenyl)pyrimidin-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[[4-(4-tert-butylphenyl)pyrimidin-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[[4-(4-tert-butylphenyl)pyrimidin-2-yl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[[4-(4-tert-butylphenyl)-2-pyrimidinyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[[4-(4-tert-butylphenyl)pyrimidin-2-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[[4-(4-tert-butylphenyl)pyrimidin-2-yl]amino]-3-hydroxy-acrylonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=NC=CC(=N1)C2=CC=C(C=C2)C(C)(C)C)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=NC=CC(=N1)C2=CC=C(C=C2)C(C)(C)C)/O)/C#N

InChI

InChI=1S/C19H20N4O2/c1-12(24)15(11-20)17(25)23-18-21-10-9-16(22-18)13-5-7-14(8-6-13)19(2,3)4/h5-10,25H,1-4H3,(H,21,22,23)/b17-15+