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

Systemtic Name: 3-[3-(3-cyclopropylprop-2-ynyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[3-(3-cyclopropylprop-2-ynyl)-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-(3-cyclopropylprop-2-ynyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-(3-cyclopropylprop-2-ynyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-(3-cyclopropylprop-2-ynyl)-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC#CC3CC3)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC#CC3CC3)C(C)C)C#N

InChI

InChI=1S/C22H21N3O3/c1-13(2)18-19(20(26)17-10-14(3)9-16(11-17)12-23)25(22(28)24-21(18)27)8-4-5-15-6-7-15/h9-11,13,15H,6-8H2,1-3H3,(H,24,27,28)