6-(4-methylphenyl)sulfanyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(1-phenylethyl)-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(1-phenylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(1-phenylethyl)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-])NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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