2-(4-ethylpiperazin-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazinyl)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazino)-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H22N8OS/c1-2-24-8-10-25(11-9-24)17-19-14(12-16(27)20-17)13-28-18-21-22-23-26(18)15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3,(H,19,20,27)