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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-21(12-14-8-4-2-5-9-14)17-16(22(23)24)18(20-13-19-17)25-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3