6-oxidanylidene-5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrimidin-2-olate

Systemtic Name: 6-oxidanylidene-5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrimidin-2-olate Openeye Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-6-oxo-1H-pyrimidin-2-olate CAS Name: 6-oxo-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-1H-pyrimidin-2-olate IUPAC Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-(4-benzylpiperazino)sulfonyl-6-keto-1H-pyrimidin-2-olate Formula: C15H17N4O4S- MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c20-14-13(10-16-15(21)17-14)24(22,23)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,16,17,20,21)/p-1