N-[6-[(1-azanyl-3-oxidanylidene-butyl)amino]-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[6-[(1-azanyl-3-oxidanylidene-butyl)amino]-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-[(1-amino-3-oxo-butyl)amino]-2-phenyl-pyrimidin-4-yl]-2-[4-(2-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-[6-[(1-amino-3-oxobutyl)amino]-2-phenyl-4-pyrimidinyl]-2-[4-(2-pyridinylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-[(1-amino-3-oxobutyl)amino]-2-phenylpyrimidin-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[6-[(1-amino-3-keto-butyl)amino]-2-phenyl-pyrimidin-4-yl]-2-[4-(2-pyridylmethyl)piperazino]acetamide Formula: C26H32N8O2 MolecularWeight: 488.58468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(N)NC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC(N)NC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N8O2/c1-19(35)15-22(27)29-23-16-24(32-26(31-23)20-7-3-2-4-8-20)30-25(36)18-34-13-11-33(12-14-34)17-21-9-5-6-10-28-21/h2-10,16,22H,11-15,17-18,27H2,1H3,(H2,29,30,31,32,36)