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

Systemtic Name: 6-oxidanylidene-5-(phenylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidin-4-olate CAS Name: 6-oxo-5-(phenylmethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-keto-1H-pyrimidin-4-olate Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=C(C(=O)N3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=C(C(=O)N3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H24N4O2/c27-20-19(15-17-7-3-1-4-8-17)21(28)24-22(23-20)26-13-11-25(12-14-26)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,23,24,27,28)