6-(4-methylphenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenoxyphenyl)-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O3S/c1-16-7-13-20(14-8-16)31-23-21(27(28)29)22(24-15-25-23)26-17-9-11-19(12-10-17)30-18-5-3-2-4-6-18/h2-15H,1H3,(H,24,25,26)