5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(4-fluorophenyl)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H20FN7O5 MolecularWeight: 445.404403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)F

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)F

InChI

InChI=1S/C19H20FN7O5/c20-9-3-1-8(2-4-9)5-10(21)17(29)26-11-13(28)18(32-14(11)19(30)31)27-7-25-12-15(22)23-6-24-16(12)27/h1-4,6-7,10-11,13-14,18,28H,5,21H2,(H,26,29)(H,30,31)(H2,22,23,24)