N2-[(E)-(5-bromanyl-2-phenylmethoxy-phenyl)methylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-[(E)-(5-bromanyl-2-phenylmethoxy-phenyl)methylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(E)-(2-benzyloxy-5-bromo-phenyl)methyleneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: (4-anilino-6-pyrrolidino-s-triazin-2-yl)-[(E)-(2-benzoxy-5-bromo-benzylidene)amino]amine Formula: C27H26BrN7O MolecularWeight: 544.44564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N/N=C/C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H26BrN7O/c28-22-13-14-24(36-19-20-9-3-1-4-10-20)21(17-22)18-29-34-26-31-25(30-23-11-5-2-6-12-23)32-27(33-26)35-15-7-8-16-35/h1-6,9-14,17-18H,7-8,15-16,19H2,(H2,30,31,32,33,34)/b29-18+