5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-1H-pyrimidin-4-one CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(4-benzylpiperazino)-5-nitro-1H-pyrimidin-4-one Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c21-15-13(20(22)23)14(16-11-17-15)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,16,17,21)