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

Systemtic Name: 4-methylsulfanyl-1-[4-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)butyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Openeye Name: 4-methylsulfanyl-1-[4-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)butyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium CAS Name: 4-(methylthio)-1-[4-[4-(methylthio)-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl]butyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium IUPAC Name: 4-methylsulfanyl-1-[4-(4-methylsulfanyl-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl)butyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Traditional Name: 4-(methylthio)-1-[4-[4-(methylthio)-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium-1-yl]butyl]-5-nitro-3-phenyl-2,6-dihydro-1H-pyrimidin-1-ium Formula: C26H34N6O4S2+2 MolecularWeight: 558.71596

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H32N6O4S2/c1-37-25-23(31(33)34)17-27(19-29(25)21-11-5-3-6-12-21)15-9-10-16-28-18-24(32(35)36)26(38-2)30(20-28)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3/p+2