N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C16H17N5O3 MolecularWeight: 327.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H17N5O3/c22-16(19-12-2-3-13-14(10-12)24-11-23-13)21-8-6-20(7-9-21)15-17-4-1-5-18-15/h1-5,10H,6-9,11H2,(H,19,22)