N-(2,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethylphenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethylphenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]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-])NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H18N4O2S/c1-12-5-8-15(9-6-12)26-19-17(23(24)25)18(20-11-21-19)22-16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,20,21,22)