5-nitro-N-(1-phenylethyl)-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(1-phenylethyl)-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(1-phenylethyl)-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-N-(1-phenylethyl)-6-(phenylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(1-phenylethyl)-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c1-13(14-8-4-2-5-9-14)21-17-16(22(23)24)18(20-12-19-17)25-15-10-6-3-7-11-15/h2-13H,1H3,(H,19,20,21)