(6-oxidanyl-1,4-benzodioxin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (6-oxidanyl-1,4-benzodioxin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (6-hydroxy-1,4-benzodioxin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (6-hydroxy-1,4-benzodioxin-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (6-hydroxy-1,4-benzodioxin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (6-hydroxy-1,4-benzodioxin-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=COC4=C(O3)C=CC(=C4)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=COC4=C(O3)C=CC(=C4)O

InChI

InChI=1S/C17H16N4O4/c22-12-2-3-13-14(10-12)24-11-15(25-13)16(23)20-6-8-21(9-7-20)17-18-4-1-5-19-17/h1-5,10-11,22H,6-9H2