6-azanyl-2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC(=O)C=C(N4)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC(=O)C=C(N4)N

InChI

InChI=1S/C23H25N5O2S/c24-19-15-20(29)26-23(25-19)31-16-21(30)27-11-13-28(14-12-27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15,22H,11-14,16H2,(H3,24,25,26,29)/p+1