(E)-3-[3-[3-butyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-phenyl]prop-2-enenitrile

Systemtic Name: (E)-3-[3-[3-butyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3-(3-butyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-phenyl]prop-2-enenitrile CAS Name: (E)-3-[3-[(3-butyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]-5-methylphenyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(3-butyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylphenyl]prop-2-enenitrile Traditional Name: (E)-3-[3-(3-butyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-methyl-phenyl]acrylonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C=CC#N)C

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)/C=C/C#N)C

InChI

InChI=1S/C22H25N3O3/c1-5-6-10-25-19(18(14(2)3)21(27)24-22(25)28)20(26)17-12-15(4)11-16(13-17)8-7-9-23/h7-8,11-14H,5-6,10H2,1-4H3,(H,24,27,28)/b8-7+