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

Systemtic Name: 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NN=C1SCC2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N7OS/c1-23-13-19-22-18(23)27-12-14-11-16(26)21-17(20-14)25-9-7-24(8-10-25)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,26)