2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C17H19N4O2S- MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-15-6-7-18-17(19-15)24-13-16(23)21-10-8-20(9-11-21)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,18,19,22)/p-1