3-[[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidin-4-yl)-hydroxy-methyl]-5-methyl-benzonitrile CAS Name: 3-[(3-ethyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-hydroxymethyl]-5-methylbenzonitrile IUPAC Name: 3-[(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-yl)-hydroxymethyl]-5-methylbenzonitrile Traditional Name: 3-[(3-ethyl-5-isopropyl-2,6-diketo-pyrimidin-4-yl)-hydroxy-methyl]-5-methyl-benzonitrile Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(C)C)C(C2=CC(=CC(=C2)C)C#N)O

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(C)C)C(C2=CC(=CC(=C2)C)C#N)O

InChI

InChI=1S/C18H21N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10,16,22H,5H2,1-4H3,(H,20,23,24)