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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(4-nitrophenyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(4-nitrobenzyl)thio]pyrimidin-4-yl]amine Formula: C11H11N5O2S MolecularWeight: 277.30234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O2S/c12-9-5-10(13)15-11(14-9)19-6-7-1-3-8(4-2-7)16(17)18/h1-5H,6H2,(H4,12,13,14,15)