5-cyclopropyl-8-fluoranyl-1,3-bis(oxidanylidene)-7-piperazin-1-yl-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid

Systemtic Name: 5-cyclopropyl-8-fluoranyl-1,3-bis(oxidanylidene)-7-piperazin-1-yl-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-8-fluoro-1,3-dioxo-7-piperazin-1-yl-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid CAS Name: 5-cyclopropyl-8-fluoro-1,3-dioxo-7-(1-piperazinyl)-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid IUPAC Name: 5-cyclopropyl-8-fluoro-1,3-dioxo-7-piperazin-1-yl-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-8-fluoro-1,3-diketo-7-piperazino-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid Formula: C18H20FN5O4 MolecularWeight: 389.380903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3C(C(=O)NC(=O)N3C4=CC(=C(C=C42)N5CCNCC5)F)C(=O)O

Isomeric SMILES

C1CC1N2C3C(C(=O)NC(=O)N3C4=CC(=C(C=C42)N5CCNCC5)F)C(=O)O

InChI

InChI=1S/C18H20FN5O4/c19-10-7-12-13(8-11(10)22-5-3-20-4-6-22)23(9-1-2-9)16-14(17(26)27)15(25)21-18(28)24(12)16/h7-9,14,16,20H,1-6H2,(H,26,27)(H,21,25,28)