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

Systemtic Name: 3-[3-[2,6-bis(oxidanylidene)-5-propan-2-yl-3-(pyridin-4-ylmethyl)pyrimidin-4-yl]carbonyl-5-methyl-phenyl]propanenitrile Openeye Name: 3-[3-[5-isopropyl-2,6-dioxo-3-(4-pyridylmethyl)pyrimidine-4-carbonyl]-5-methyl-phenyl]propanenitrile CAS Name: 3-[3-[[2,6-dioxo-5-propan-2-yl-3-(pyridin-4-ylmethyl)-4-pyrimidinyl]-oxomethyl]-5-methylphenyl]propanenitrile IUPAC Name: 3-[3-[2,6-dioxo-5-propan-2-yl-3-(pyridin-4-ylmethyl)pyrimidine-4-carbonyl]-5-methylphenyl]propanenitrile Traditional Name: 3-[3-[5-isopropyl-2,6-diketo-3-(4-pyridylmethyl)pyrimidine-4-carbonyl]-5-methyl-phenyl]propionitrile Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=NC=C3)C(C)C)CCC#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=NC=C3)C(C)C)CCC#N

InChI

InChI=1S/C24H24N4O3/c1-15(2)20-21(22(29)19-12-16(3)11-18(13-19)5-4-8-25)28(24(31)27-23(20)30)14-17-6-9-26-10-7-17/h6-7,9-13,15H,4-5,14H2,1-3H3,(H,27,30,31)