N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentyl-benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentyl-benzamide Openeye Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentyl-benzamide CAS Name: N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]-4-pentylbenzamide IUPAC Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4

InChI

InChI=1S/C27H28N6O/c1-3-4-5-6-20-8-10-21(11-9-20)26(34)31-23-12-7-19(2)25(15-23)33-27-30-14-13-24(32-27)22-16-28-18-29-17-22/h7-18H,3-6H2,1-2H3,(H,31,34)(H,30,32,33)