2-(4-methylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazinyl)-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazino)-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C13H19N7OS MolecularWeight: 321.40126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=CN3C

Isomeric SMILES

CN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=CN3C

InChI

InChI=1S/C13H19N7OS/c1-18-3-5-20(6-4-18)12-15-10(7-11(21)16-12)8-22-13-17-14-9-19(13)2/h7,9H,3-6,8H2,1-2H3,(H,15,16,21)