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

Systemtic Name: 4-butoxy-N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-butoxy-benzamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]-4-butoxybenzamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-butoxy-benzamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N5O2/c1-3-4-18-35-25-16-10-21(11-17-25)27(34)31-23-12-14-24(15-13-23)32-28-29-20(2)19-26(33-28)30-22-8-6-5-7-9-22/h5-17,19H,3-4,18H2,1-2H3,(H,31,34)(H2,29,30,32,33)