N-ethyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-ethyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-ethyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-ethyl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-ethyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: ethyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-2-13-11-10(16(17)18)12(15-8-14-11)19-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)