5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)CC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H21N3O3S/c1-14(26)24-12-11-16-9-5-6-10-17(16)19(24)18-20(27)23-22(29)25(21(18)28)13-15-7-3-2-4-8-15/h2-10,19,28H,11-13H2,1H3,(H,23,27,29)