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

Systemtic Name: 3-[3-[3-butyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-phenyl]propanenitrile Openeye Name: 3-[3-(3-butyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-phenyl]propanenitrile CAS Name: 3-[3-[(3-butyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]-5-methylphenyl]propanenitrile IUPAC Name: 3-[3-(3-butyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylphenyl]propanenitrile Traditional Name: 3-[3-(3-butyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-methyl-phenyl]propionitrile Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/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/h11-14H,5-8,10H2,1-4H3,(H,24,27,28)