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

Systemtic Name: N2,N4-bis(2H-benzotriazol-5-yl)-5-bromanyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2H-benzotriazol-5-yl)-5-bromo-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2H-benzotriazol-5-yl)-5-bromopyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2H-benzotriazol-5-yl)-5-bromopyrimidine-2,4-diamine Traditional Name: 2H-benzotriazol-5-yl-[2-(2H-benzotriazol-5-ylamino)-5-bromo-pyrimidin-4-yl]amine Formula: C16H11BrN10 MolecularWeight: 423.22954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C=C1NC3=NC(=NC=C3Br)NC4=CC5=NNN=C5C=C4

Isomeric SMILES

C1=CC2=NNN=C2C=C1NC3=NC(=NC=C3Br)NC4=CC5=NNN=C5C=C4

InChI

InChI=1S/C16H11BrN10/c17-10-7-18-16(20-9-2-4-12-14(6-9)25-27-23-12)21-15(10)19-8-1-3-11-13(5-8)24-26-22-11/h1-7H,(H,22,24,26)(H,23,25,27)(H2,18,19,20,21)