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

Systemtic Name: 6-(3-methylphenyl)carbonyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Openeye Name: 5-isopropyl-6-(3-methylbenzoyl)-1-(4-pyridylmethyl)pyrimidine-2,4-dione CAS Name: 6-[(3-methylphenyl)-oxomethyl]-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-(3-methylbenzoyl)-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Traditional Name: 5-isopropyl-6-m-toluoyl-1-(4-pyridylmethyl)pyrimidine-2,4-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

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=NC=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-13(2)17-18(19(25)16-6-4-5-14(3)11-16)24(21(27)23-20(17)26)12-15-7-9-22-10-8-15/h4-11,13H,12H2,1-3H3,(H,23,26,27)