[4-[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(1-azetidinyl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(azetidin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c23-16(12-3-1-10-26-12)21-8-6-20(7-9-21)15-13(22(24)25)14(17-11-18-15)19-4-2-5-19/h1,3,10-11H,2,4-9H2