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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-propyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-propyl-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-propyl-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-propyl-amine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-3-8-15-13-12(18(19)20)14(17-9-16-13)21-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)