N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H28N4O3/c31-26(25-19-9-3-5-11-21(19)33-22-12-6-4-10-20(22)25)27-13-16-32-24-17-23(28-18-29-24)30-14-7-1-2-8-15-30/h3-6,9-12,17-18,25H,1-2,7-8,13-16H2,(H,27,31)