6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine

Systemtic Name: 6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine Openeye Name: 6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine CAS Name: 6-(methylthio)-3-[4-[6-(methylthio)-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl]butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine IUPAC Name: 6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine Traditional Name: 6-(methylthio)-3-[4-[6-(methylthio)-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl]butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine Formula: C26H32N6O4S2 MolecularWeight: 556.70008

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(CN(CN1C2=CC=CC=C2)CCCCN3CC(=C(N(C3)C4=CC=CC=C4)SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(CN(CN1C2=CC=CC=C2)CCCCN3CC(=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