4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidine-2,5-diamine

Systemtic Name: 4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidine-2,5-diamine Openeye Name: 4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidine-2,5-diamine CAS Name: 4-methyl-6-[(4-nitrophenyl)methylthio]pyrimidine-2,5-diamine IUPAC Name: 4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidine-2,5-diamine Traditional Name: [2-amino-4-methyl-6-[(4-nitrobenzyl)thio]pyrimidin-5-yl]amine Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H13N5O2S/c1-7-10(13)11(16-12(14)15-7)20-6-8-2-4-9(5-3-8)17(18)19/h2-5H,6,13H2,1H3,(H2,14,15,16)