tert-butyl 1-[5-cyclopropyl-8-fluoranyl-2-oxidanyl-1,3-bis(oxidanylidene)pyrimido[1,6-a]benzimidazol-7-yl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[5-cyclopropyl-8-fluoranyl-2-oxidanyl-1,3-bis(oxidanylidene)pyrimido[1,6-a]benzimidazol-7-yl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(5-cyclopropyl-8-fluoro-2-hydroxy-1,3-dioxo-pyrimido[1,6-a]benzimidazol-7-yl)pyrrolidine-2-carboxylate CAS Name: 1-(5-cyclopropyl-8-fluoro-2-hydroxy-1,3-dioxo-7-pyrimido[1,6-a]benzimidazolyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(5-cyclopropyl-8-fluoro-2-hydroxy-1,3-dioxopyrimido[1,6-a]benzimidazol-7-yl)pyrrolidine-2-carboxylate Traditional Name: 1-(5-cyclopropyl-8-fluoro-2-hydroxy-1,3-diketo-pyrimido[1,6-a]benzimidazol-7-yl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H25FN4O5 MolecularWeight: 444.456103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C4=CC(=O)N(C(=O)N34)O)C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C4=CC(=O)N(C(=O)N34)O)C5CC5)F

InChI

InChI=1S/C22H25FN4O5/c1-22(2,3)32-20(29)14-5-4-8-24(14)15-10-17-16(9-13(15)23)26-18(25(17)12-6-7-12)11-19(28)27(31)21(26)30/h9-12,14,31H,4-8H2,1-3H3