5-bromanyl-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(1-piperidylmethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(1-piperidinylmethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-(2-diethylaminoethyloxy)phenyl]-4-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: 2-[4-[[5-bromo-4-[3-(piperidinomethyl)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl-diethyl-amine Formula: C28H37BrN6O MolecularWeight: 553.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)CN4CCCCC4)Br

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)CN4CCCCC4)Br

InChI

InChI=1S/C28H37BrN6O/c1-3-34(4-2)17-18-36-25-13-11-23(12-14-25)32-28-30-20-26(29)27(33-28)31-24-10-8-9-22(19-24)21-35-15-6-5-7-16-35/h8-14,19-20H,3-7,15-18,21H2,1-2H3,(H2,30,31,32,33)