4-methylsulfanyl-1-[2-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium

Systemtic Name: 4-methylsulfanyl-1-[2-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Openeye Name: 4-methylsulfanyl-1-[2-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium CAS Name: 4-(methylthio)-1-[2-[4-(methylthio)-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl]ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium IUPAC Name: 4-methylsulfanyl-1-[2-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Traditional Name: 4-(methylthio)-1-[2-[4-(methylthio)-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl]ethyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Formula: C24H30N6O4S2+2 MolecularWeight: 530.6628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C[NH+](CN1C2=CC=CC=C2)CC[NH+]3CC(=C(N(C3)C4=CC=CC=C4)SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C[NH+](CN1C2=CC=CC=C2)CC[NH+]3CC(=C(N(C3)C4=CC=CC=C4)SC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O4S2/c1-35-23-21(29(31)32)15-25(17-27(23)19-9-5-3-6-10-19)13-14-26-16-22(30(33)34)24(36-2)28(18-26)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3/p+2