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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-phenethyl-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-phenethyl-amine Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-14-7-9-16(10-8-14)26-19-17(23(24)25)18(21-13-22-19)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,22)