N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-phenyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-phenyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-phenyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-imidazolyl)-5-phenyl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-phenylpyrimidin-4-amine Traditional Name: (2-imidazol-1-yl-5-phenyl-pyrimidin-4-yl)-piperonyl-amine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CC=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CC=C4)N5C=CN=C5

InChI

InChI=1S/C21H17N5O2/c1-2-4-16(5-3-1)17-12-24-21(26-9-8-22-13-26)25-20(17)23-11-15-6-7-18-19(10-15)28-14-27-18/h1-10,12-13H,11,14H2,(H,23,24,25)