1-[4-[[4-[(4-chlorophenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[[4-[(4-chlorophenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[4-(4-chloroanilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[4-(4-chloroanilino)-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[4-(4-chloroanilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[4-(4-chloroanilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C21H24ClN5O2 MolecularWeight: 413.90056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H24ClN5O2/c1-27(2)13-18(28)14-29-19-9-7-17(8-10-19)25-21-23-12-11-20(26-21)24-16-5-3-15(22)4-6-16/h3-12,18,28H,13-14H2,1-2H3,(H2,23,24,25,26)