5-bromanyl-N2-[4-[3-(dimethylamino)propoxy]phenyl]-N4-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[4-[3-(dimethylamino)propoxy]phenyl]-N4-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-[3-(dimethylamino)propoxy]phenyl]-N4-(6-methyl-2-pyridyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-[3-(dimethylamino)propoxy]phenyl]-N4-(6-methyl-2-pyridinyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine Traditional Name: 3-[4-[[5-bromo-4-[(6-methyl-2-pyridyl)amino]pyrimidin-2-yl]amino]phenoxy]propyl-dimethyl-amine Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)OCCCN(C)C

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)OCCCN(C)C

InChI

InChI=1S/C21H25BrN6O/c1-15-6-4-7-19(24-15)26-20-18(22)14-23-21(27-20)25-16-8-10-17(11-9-16)29-13-5-12-28(2)3/h4,6-11,14H,5,12-13H2,1-3H3,(H2,23,24,25,26,27)