N-(1H-benzimidazol-2-ylmethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H21FN8O2 MolecularWeight: 448.452943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN8O2/c23-15-5-1-4-8-18(15)29-9-11-30(12-10-29)22-20(31(32)33)21(25-14-26-22)24-13-19-27-16-6-2-3-7-17(16)28-19/h1-8,14H,9-13H2,(H,27,28)(H,24,25,26)