5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1-phenyl-2-thioxo-pyrimidin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-13(25)23-12-11-14-7-5-6-10-16(14)18(23)17-19(26)22-21(28)24(20(17)27)15-8-3-2-4-9-15/h2-10,18,27H,11-12H2,1H3,(H,22,26,28)/t18-/m0/s1