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

Systemtic Name: 1-[4-[[6-(2-bromanyl-4-methyl-phenoxy)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[6-(2-bromo-4-methyl-phenoxy)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[6-(2-bromo-4-methylphenoxy)-4-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[6-(2-bromo-4-methylphenoxy)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[6-(2-bromo-4-methyl-phenoxy)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=NC(=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=NC(=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O)Br

InChI

InChI=1S/C22H25BrN4O3/c1-15-4-9-20(19(23)10-15)30-22-11-21(24-14-25-22)26-16-5-7-18(8-6-16)29-13-17(28)12-27(2)3/h4-11,14,17,28H,12-13H2,1-3H3,(H,24,25,26)