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4-imidazol-1-yl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

4-imidazol-1-yl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name:4-imidazol-1-yl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine
Openeye Name:4-imidazol-1-yl-5-nitro-6-(p-tolylsulfanyl)pyrimidine
CAS Name:4-(1-imidazolyl)-6-[(4-methylphenyl)thio]-5-nitropyrimidine
IUPAC Name:4-imidazol-1-yl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine
Traditional Name:4-imidazol-1-yl-5-nitro-6-(p-tolylthio)pyrimidine
Formula: C14H11N5O2S
MolecularWeight: 313.33444
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3


Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3


InChI

InChI=1S/C14H11N5O2S/c1-10-2-4-11(5-3-10)22-14-12(19(20)21)13(16-8-17-14)18-7-6-15-9-18/h2-9H,1H3


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