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

Systemtic Name: N-(diphenylmethyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(diphenylmethyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C24H20N4O2S MolecularWeight: 428.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O2S/c1-17-12-14-20(15-13-17)31-24-22(28(29)30)23(25-16-26-24)27-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,25,26,27)