N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromanylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromanylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]-piperonyl-amine Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C18H15BrN4O3/c19-12-2-4-13(5-3-12)26-18-16(20)17(22-9-23-18)21-8-11-1-6-14-15(7-11)25-10-24-14/h1-7,9H,8,10,20H2,(H,21,22,23)