1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)N2CCC3=CC=CC=C3C2)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=NC1=S)N2CCC3=CC=CC=C3C2)C(=O)C)C

InChI

InChI=1S/C18H21N3OS/c1-4-21-12(2)16(13(3)22)17(19-18(21)23)20-10-9-14-7-5-6-8-15(14)11-20/h5-8H,4,9-11H2,1-3H3