N2-(3H-benzimidazol-5-yl)-N4-(1,3-benzodioxol-5-yl)-5-bromanyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3H-benzimidazol-5-yl)-N4-(1,3-benzodioxol-5-yl)-5-bromanyl-pyrimidine-2,4-diamine Openeye Name: N2-(3H-benzimidazol-5-yl)-N4-(1,3-benzodioxol-5-yl)-5-bromo-pyrimidine-2,4-diamine CAS Name: N2-(3H-benzimidazol-5-yl)-N4-(1,3-benzodioxol-5-yl)-5-bromopyrimidine-2,4-diamine IUPAC Name: 2-N-(3H-benzimidazol-5-yl)-4-N-(1,3-benzodioxol-5-yl)-5-bromopyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-ylamino)-5-bromo-pyrimidin-2-yl]amine Formula: C18H13BrN6O2 MolecularWeight: 425.23882

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C18H13BrN6O2/c19-12-7-20-18(24-10-1-3-13-14(5-10)22-8-21-13)25-17(12)23-11-2-4-15-16(6-11)27-9-26-15/h1-8H,9H2,(H,21,22)(H2,20,23,24,25)