1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]propan-1-one

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]propan-1-one Openeye Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]propan-1-one CAS Name: 1-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-1-propanone IUPAC Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]propan-1-one Traditional Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]propan-1-one Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O/c1-3-20(28)17-9-10-19-18(13-17)24-14-27(19)21-11-12-23-22(26-21)25-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,25,26)