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

Systemtic Name: 3-methyl-5-[3-(4-oxidanylbut-2-ynyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-[3-(4-hydroxybut-2-ynyl)-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-(4-hydroxybut-2-ynyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-(4-hydroxybut-2-ynyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-(4-hydroxybut-2-ynyl)-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC#CCO)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC#CCO)C(C)C)C#N

InChI

InChI=1S/C20H19N3O4/c1-12(2)16-17(18(25)15-9-13(3)8-14(10-15)11-21)23(6-4-5-7-24)20(27)22-19(16)26/h8-10,12,24H,6-7H2,1-3H3,(H,22,26,27)