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

Systemtic Name: (E)-3-[3-methyl-5-[3-[(2-methylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3-[5-isopropyl-3-[(2-methyl-4-pyridyl)methyl]-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-phenyl]prop-2-enenitrile CAS Name: (E)-3-[3-methyl-5-[[3-[(2-methyl-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]phenyl]-2-propenenitrile IUPAC Name: (E)-3-[3-methyl-5-[3-[(2-methylpyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]phenyl]prop-2-enenitrile Traditional Name: (E)-3-[3-[5-isopropyl-2,6-diketo-3-[(2-methyl-4-pyridyl)methyl]pyrimidine-4-carbonyl]-5-methyl-phenyl]acrylonitrile Formula: C25H24N4O3 MolecularWeight: 428.48306

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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)C)C=CC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c1-15(2)21-22(23(30)20-11-16(3)10-18(13-20)6-5-8-26)29(25(32)28-24(21)31)14-19-7-9-27-17(4)12-19/h5-7,9-13,15H,14H2,1-4H3,(H,28,31,32)/b6-5+