N6-(1,3-benzodioxol-5-yl)-N4-(2-bromophenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-bromophenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-bromophenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-bromophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-bromophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-bromophenyl)amine Formula: C17H14BrN5O2 MolecularWeight: 400.22936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4Br)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4Br)N

InChI

InChI=1S/C17H14BrN5O2/c18-11-3-1-2-4-12(11)23-17-15(19)16(20-8-21-17)22-10-5-6-13-14(7-10)25-9-24-13/h1-8H,9,19H2,(H2,20,21,22,23)