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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O2S/c1-7-2-4-8(5-3-7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14)