2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H23N4O2S- MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

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