N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]benzenesulfonamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-17-16-22(25-18-8-4-2-5-9-18)27-23(24-17)26-19-12-14-20(15-13-19)28-31(29,30)21-10-6-3-7-11-21/h2-16,28H,1H3,(H2,24,25,26,27)