6-ethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C19H23N4O2S- MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H24N4O2S/c1-2-16-12-17(24)21-19(20-16)26-14-18(25)23-10-8-22(9-11-23)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3,(H,20,21,24)/p-1