2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C22H26ClN5O2S/c1-15-12-26(9-10-28(15)16(2)29)20-11-19(23)24-22(25-20)31-14-21(30)27-8-7-17-5-3-4-6-18(17)13-27/h3-6,11,15H,7-10,12-14H2,1-2H3