N-[4-[[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]naphthalene-1-carboxamide

Systemtic Name: N-[4-[[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-1-carboxamide CAS Name: N-[4-[[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]amino]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-[[4-methyl-6-(p-toluidino)pyrimidin-2-yl]amino]phenyl]-1-naphthamide Formula: C29H25N5O MolecularWeight: 459.5417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H25N5O/c1-19-10-12-22(13-11-19)31-27-18-20(2)30-29(34-27)33-24-16-14-23(15-17-24)32-28(35)26-9-5-7-21-6-3-4-8-25(21)26/h3-18H,1-2H3,(H,32,35)(H2,30,31,33,34)