N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzamide Formula: C27H22N6OS MolecularWeight: 478.56818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

InChI

InChI=1S/C27H22N6OS/c28-22-10-9-20(25-4-2-14-35-25)15-24(22)32-26(34)19-7-5-18(6-8-19)16-31-27-30-13-11-23(33-27)21-3-1-12-29-17-21/h1-15,17H,16,28H2,(H,32,34)(H,30,31,33)