2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5)OC

InChI

InChI=1S/C25H29N5O3S/c1-32-20-15-18-6-9-30(24(22-5-3-14-34-22)19(18)16-21(20)33-2)17-23(31)28-10-12-29(13-11-28)25-26-7-4-8-27-25/h3-5,7-8,14-16,24H,6,9-13,17H2,1-2H3/t24-/m0/s1