1-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[2-(1-hydroxyethyl)-4-pyrimidinyl]-2,6-dimethyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazino]-2-(2-pyrimidylthio)ethanone Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)CSC2=NC=CC=N2)C)C3=NC(=NC=C3)C(C)O

Isomeric SMILES

CC1CN(CC(N1C(=O)CSC2=NC=CC=N2)C)C3=NC(=NC=C3)C(C)O

InChI

InChI=1S/C18H24N6O2S/c1-12-9-23(15-5-8-19-17(22-15)14(3)25)10-13(2)24(12)16(26)11-27-18-20-6-4-7-21-18/h4-8,12-14,25H,9-11H2,1-3H3