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

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c22-21(23)15-16(18-11-13-7-3-1-4-8-13)19-12-20-17(15)24-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,19,20)