N-[1-[2-(piperidin-2-ylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide

Systemtic Name: N-[1-[2-(piperidin-2-ylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Openeye Name: N-[1-[2-(2-piperidylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide CAS Name: N-[1-[2-(2-piperidinylmethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-3-butenamide IUPAC Name: N-[1-[2-(piperidin-2-ylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Traditional Name: N-[1-[2-(2-piperidylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Formula: C21H25N7O MolecularWeight: 391.4695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NCC4CCCCN4

Isomeric SMILES

C=CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NCC4CCCCN4

InChI

InChI=1S/C21H25N7O/c1-2-5-20(29)26-15-7-8-18-17(12-15)25-14-28(18)19-9-11-23-21(27-19)24-13-16-6-3-4-10-22-16/h2,7-9,11-12,14,16,22H,1,3-6,10,13H2,(H,26,29)(H,23,24,27)