5-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(2-methoxyphenyl)-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(2-methoxyphenyl)-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione CAS Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione IUPAC Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione Traditional Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-quinone Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=O)NC3=O)C4=CC=CC=C4OC)O

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@@H]1C3=C(N(C(=O)NC3=O)C4=CC=CC=C4OC)O

InChI

InChI=1S/C22H21N3O5/c1-13(26)24-12-11-14-7-3-4-8-15(14)19(24)18-20(27)23-22(29)25(21(18)28)16-9-5-6-10-17(16)30-2/h3-10,19,28H,11-12H2,1-2H3,(H,23,27,29)/t19-/m1/s1