2-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl]thio]pyrimidin-4-yl]amine Formula: C13H13F2N5O4S MolecularWeight: 373.335226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C13H13F2N5O4S/c1-23-8-2-6(5-25-13-18-10(16)4-11(17)19-13)7(20(21)22)3-9(8)24-12(14)15/h2-4,12H,5H2,1H3,(H4,16,17,18,19)