icotinib

CAS: 610798-31-7

Formula: C22H21N3O4

SMILES: C#CC1=CC(NC2=C3C=C4OCCOCCOCCOC4=CC3=NC=N2)=CC=C1

IUPAC: N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine

InChI: InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)

Composition: C (67.51%), H (5.41%), N (10.74%), O (16.35%)

Molar Mass: 391.427

Atom Count: 50

Heavy Atom Count: 29