1-[4-[(5-azanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[(5-azanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[(5-amino-4-anilino-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[(5-amino-4-anilino-2-pyrimidinyl)amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[(5-amino-4-anilinopyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[(5-amino-4-anilino-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14,22H2,1-2H3,(H2,23,24,25,26)