6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C17H16N4O2S2/c1-12-4-6-14(7-5-12)25-17-15(21(22)23)16(19-11-20-17)18-9-8-13-3-2-10-24-13/h2-7,10-11H,8-9H2,1H3,(H,18,19,20)