N-[(4-methoxyphenyl)methyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-p-anisyl-amine Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-25-14-9-7-13(8-10-14)11-19-17-16(22(23)24)18(21-12-20-17)26-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)