4-(3,5-dimethylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N3O3S/c1-12-8-13(2)10-14(9-12)24-17-16(21(22)23)18(20-11-19-17)25-15-6-4-3-5-7-15/h3-11H,1-2H3