6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one Traditional Name: 5-nitro-6-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C16H17N5O5 MolecularWeight: 359.33668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N=CN4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N=CN4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c22-16-14(21(23)24)15(17-9-18-16)20-5-3-19(4-6-20)8-11-1-2-12-13(7-11)26-10-25-12/h1-2,7,9H,3-6,8,10H2,(H,17,18,22)