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

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazinyl)-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-1-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazino)-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C14H21N7OS MolecularWeight: 335.42784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=CN3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=CN3C

InChI

InChI=1S/C14H21N7OS/c1-3-20-4-6-21(7-5-20)13-16-11(8-12(22)17-13)9-23-14-18-15-10-19(14)2/h8,10H,3-7,9H2,1-2H3,(H,16,17,22)