1-[4-[[6-[(2-chlorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[[6-[(2-chlorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[6-(2-chloroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[6-(2-chloroanilino)-4-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[6-(2-chloroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[6-(2-chloroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=CC=CC=C3Cl)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=CC=CC=C3Cl)O

InChI

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