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

Systemtic Name: N-methyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-methyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-methyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-methyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC

InChI

InChI=1S/C12H12N4O2S/c1-8-3-5-9(6-4-8)19-12-10(16(17)18)11(13-2)14-7-15-12/h3-7H,1-2H3,(H,13,14,15)