N-(4-ethylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-ethylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-ethylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-ethylphenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-ethylphenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-ethylphenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-2-13-8-10-14(11-9-13)21-17-16(22(23)24)18(20-12-19-17)25-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20,21)