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

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 5-nitro-N-(p-tolylmethyl)-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[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)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S/c1-13-3-7-15(8-4-13)11-20-18-17(23(24)25)19(22-12-21-18)26-16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,20,21,22)