N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isonicotinamide Formula: C22H25N7O2 MolecularWeight: 419.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N7O2/c1-16(30)24-11-12-25-19-15-20(29-21(28-19)17-5-3-2-4-6-17)26-13-14-27-22(31)18-7-9-23-10-8-18/h2-10,15H,11-14H2,1H3,(H,24,30)(H,27,31)(H2,25,26,28,29)