1-[(2-chloranylpyridin-4-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2-chloranylpyridin-4-yl)methyl]-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-[(2-chloro-4-pyridyl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-[(2-chloro-4-pyridinyl)methyl]-6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-[(2-chloropyridin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione Traditional Name: 1-[(2-chloro-4-pyridyl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2=CC(=NC=C2)Cl)C(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2=CC(=NC=C2)Cl)C(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H20ClN3O3/c1-4-16-18(19(26)15-8-12(2)7-13(3)9-15)25(21(28)24-20(16)27)11-14-5-6-23-17(22)10-14/h5-10H,4,11H2,1-3H3,(H,24,27,28)