6-chloranyl-3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-1,2-benzoxazole

Systemtic Name: 6-chloranyl-3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-1,2-benzoxazole Openeye Name: 3-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-6-chloro-1,2-benzoxazole CAS Name: 6-chloro-3-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-1,2-benzoxazole IUPAC Name: 3-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-6-chloro-1,2-benzoxazole Traditional Name: 3-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-6-chloro-indoxazene Formula: C22H19ClN6O4 MolecularWeight: 466.87706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=NOC5=C4C=CC(=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=NOC5=C4C=CC(=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN6O4/c23-16-6-7-17-18(12-16)33-26-21(17)32-22-19(29(30)31)20(24-14-25-22)28-10-8-27(9-11-28)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2