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

Systemtic Name: 3-[3-(2-hydroxyethyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[3-(2-hydroxyethyl)-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-(2-hydroxyethyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-(2-hydroxyethyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-(2-hydroxyethyl)-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCO)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCO)C(C)C)C#N

InChI

InChI=1S/C18H19N3O4/c1-10(2)14-15(21(4-5-22)18(25)20-17(14)24)16(23)13-7-11(3)6-12(8-13)9-19/h6-8,10,22H,4-5H2,1-3H3,(H,20,24,25)