N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-phenoxypiperidin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-phenoxypiperidin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-phenoxy-1-piperidyl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(3-phenoxy-1-piperidinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(3-phenoxypiperidin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-phenoxypiperidino)acetamide Formula: C27H32N6O3 MolecularWeight: 488.58138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCC(C2)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCC(C2)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N6O3/c1-20(34)28-14-15-29-24-17-25(32-27(31-24)21-9-4-2-5-10-21)30-26(35)19-33-16-8-13-23(18-33)36-22-11-6-3-7-12-22/h2-7,9-12,17,23H,8,13-16,18-19H2,1H3,(H,28,34)(H2,29,30,31,32,35)