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

Systemtic Name: N2-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)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)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C21H20BrN7O2 MolecularWeight: 482.3332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3Br)OCO4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3Br)OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C21H20BrN7O2/c22-16-11-18-17(30-13-31-18)10-14(16)12-23-28-20-25-19(24-15-6-2-1-3-7-15)26-21(27-20)29-8-4-5-9-29/h1-3,6-7,10-12H,4-5,8-9,13H2,(H2,24,25,26,27,28)/b23-12+