N'-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-2-furohydrazide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c28-21(17-7-4-12-31-17)25-24-19-18(27(29)30)20(23-14-22-19)26-10-8-16(9-11-26)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2,(H,25,28)(H,22,23,24)