N2,N4-bis(3H-benzimidazol-5-yl)-5-bromanyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(3H-benzimidazol-5-yl)-5-bromanyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3H-benzimidazol-5-yl)-5-bromo-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3H-benzimidazol-5-yl)-5-bromopyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3H-benzimidazol-5-yl)-5-bromopyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[2-(3H-benzimidazol-5-ylamino)-5-bromo-pyrimidin-4-yl]amine Formula: C18H13BrN8 MolecularWeight: 421.25342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5)NC=N2

InChI

InChI=1S/C18H13BrN8/c19-12-7-20-18(26-11-2-4-14-16(6-11)24-9-22-14)27-17(12)25-10-1-3-13-15(5-10)23-8-21-13/h1-9H,(H,21,23)(H,22,24)(H2,20,25,26,27)