5-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]-2-fluoranyl-benzamide

Systemtic Name: 5-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]-2-fluoranyl-benzamide Openeye Name: 5-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]-2-fluoro-benzamide CAS Name: 5-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]-2-fluorobenzamide IUPAC Name: 5-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]-2-fluorobenzamide Traditional Name: 5-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]-2-fluoro-benzamide Formula: C17H17FN6O4 MolecularWeight: 388.353083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)C(=O)N

InChI

InChI=1S/C17H17FN6O4/c1-22-15-13(16(27)23(2)17(22)28)24(8-20-15)6-5-12(25)21-9-3-4-11(18)10(7-9)14(19)26/h3-4,7-8H,5-6H2,1-2H3,(H2,19,26)(H,21,25)