2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[1-(3-nitrophenyl)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[1-(3-nitrophenyl)ethylthio]pyrimidin-4-yl]amine Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H13N5O2S/c1-7(8-3-2-4-9(5-8)17(18)19)20-12-15-10(13)6-11(14)16-12/h2-7H,1H3,(H4,13,14,15,16)