6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylbenzoyl)-5-isopropyl-1-(2-pyridylmethyl)pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)-oxomethyl]-5-propan-2-yl-1-(2-pyridinylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzoyl)-5-isopropyl-1-(2-pyridylmethyl)pyrimidine-2,4-quinone Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=CC=N3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=CC=N3)C(C)C)C

InChI

InChI=1S/C22H23N3O3/c1-13(2)18-19(20(26)16-10-14(3)9-15(4)11-16)25(22(28)24-21(18)27)12-17-7-5-6-8-23-17/h5-11,13H,12H2,1-4H3,(H,24,27,28)