1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC(=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC(=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c31-25(30-12-6-8-20-7-4-5-11-22(20)30)18-32-24-17-23(26-19-27-24)29-15-13-28(14-16-29)21-9-2-1-3-10-21/h1-5,7,9-11,17,19H,6,8,12-16,18H2