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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(1-cyclohexenyl)ethyl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)CCC4=CCCCC4)O

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)CCC4=CCCCC4)O

InChI

InChI=1S/C23H27N3O3S/c1-15(27)25-14-12-17-9-5-6-10-18(17)20(25)19-21(28)24-23(30)26(22(19)29)13-11-16-7-3-2-4-8-16/h5-7,9-10,20,29H,2-4,8,11-14H2,1H3,(H,24,28,30)