2-(4-methylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazinyl)-6-[(2-pyrimidinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazino)-6-[(2-pyrimidylthio)methyl]-1H-pyrimidin-4-one Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C14H18N6OS/c1-19-5-7-20(8-6-19)13-17-11(9-12(21)18-13)10-22-14-15-3-2-4-16-14/h2-4,9H,5-8,10H2,1H3,(H,17,18,21)