(2-phenylsulfanylpyridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c26-19(24-12-14-25(15-13-24)20-22-10-5-11-23-20)17-8-4-9-21-18(17)27-16-6-2-1-3-7-16/h1-11H,12-15H2