N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-3-morpholinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-morpholine-3-carboxamide Formula: C20H20N6O4 MolecularWeight: 408.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N6O4/c27-19(23-10-14-1-2-16-17(9-14)30-13-29-16)15-11-28-8-7-26(15)18-3-4-22-20(24-18)25-6-5-21-12-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,23,27)