5-bromanyl-N4-phenyl-N2-[4-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-phenyl-N2-[4-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-phenyl-N2-[4-(4-piperidylmethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-phenyl-N2-[4-(4-piperidinylmethoxy)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-phenyl-2-N-[4-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-(4-piperidylmethoxy)phenyl]amine Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

C1CNCCC1COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C22H24BrN5O/c23-20-14-25-22(28-21(20)26-17-4-2-1-3-5-17)27-18-6-8-19(9-7-18)29-15-16-10-12-24-13-11-16/h1-9,14,16,24H,10-13,15H2,(H2,25,26,27,28)