[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C26H27ClN4OS MolecularWeight: 479.03678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)Cl

InChI

InChI=1S/C26H27ClN4OS/c27-23-16-24(30-13-4-1-5-14-30)29-26(28-23)33-18-19-8-10-21(11-9-19)25(32)31-15-12-20-6-2-3-7-22(20)17-31/h2-3,6-11,16H,1,4-5,12-15,17-18H2