N-ethyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-ethyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-ethyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-ethyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-ethyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: ethyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-3-14-12-11(17(18)19)13(16-8-15-12)20-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,14,15,16)