1-[6-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-5-pyrimidinyl]-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-ethyl-3-[6-[2-(piperonylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N7O3/c1-2-23-22(30)29-21-27-16-5-4-14(8-17(16)28-21)15-10-25-20(26-11-15)24-9-13-3-6-18-19(7-13)32-12-31-18/h3-8,10-11H,2,9,12H2,1H3,(H,24,25,26)(H3,23,27,28,29,30)