N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-piperonylamide Formula: C27H22N6O3 MolecularWeight: 478.50198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H22N6O3/c1-17(18-5-3-2-4-6-18)30-27-28-12-11-25(32-27)33-15-29-21-14-20(8-9-22(21)33)31-26(34)19-7-10-23-24(13-19)36-16-35-23/h2-15,17H,16H2,1H3,(H,31,34)(H,28,30,32)