2-[5-cyclopropyl-8-fluoranyl-1,3-bis(oxidanylidene)-2-phenylmethoxy-pyrimido[1,6-a]benzimidazol-7-yl]piperazine-1-carbaldehyde

Systemtic Name: 2-[5-cyclopropyl-8-fluoranyl-1,3-bis(oxidanylidene)-2-phenylmethoxy-pyrimido[1,6-a]benzimidazol-7-yl]piperazine-1-carbaldehyde Openeye Name: 2-(2-benzyloxy-5-cyclopropyl-8-fluoro-1,3-dioxo-pyrimido[1,6-a]benzimidazol-7-yl)piperazine-1-carbaldehyde CAS Name: 2-(5-cyclopropyl-8-fluoro-1,3-dioxo-2-phenylmethoxy-7-pyrimido[1,6-a]benzimidazolyl)-1-piperazinecarboxaldehyde IUPAC Name: 2-(5-cyclopropyl-8-fluoro-1,3-dioxo-2-phenylmethoxypyrimido[1,6-a]benzimidazol-7-yl)piperazine-1-carbaldehyde Traditional Name: 2-(2-benzoxy-5-cyclopropyl-8-fluoro-1,3-diketo-pyrimido[1,6-a]benzimidazol-7-yl)piperazine-1-carbaldehyde Formula: C25H24FN5O4 MolecularWeight: 477.487563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=CC(=O)N(C(=O)N3C4=C2C=C(C(=C4)F)C5CNCCN5C=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CC1N2C3=CC(=O)N(C(=O)N3C4=C2C=C(C(=C4)F)C5CNCCN5C=O)OCC6=CC=CC=C6

InChI

InChI=1S/C25H24FN5O4/c26-19-11-21-20(10-18(19)22-13-27-8-9-28(22)15-32)29(17-6-7-17)23-12-24(33)31(25(34)30(21)23)35-14-16-4-2-1-3-5-16/h1-5,10-12,15,17,22,27H,6-9,13-14H2