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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c23-22(24)16-17(19-12-11-14-7-3-1-4-8-14)20-13-21-18(16)25-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)