[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C19H20FN5O5 MolecularWeight: 417.391003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O5/c1-23-17-16(18(28)24(2)19(23)29)25(11-21-17)8-4-7-15(27)30-10-14(26)22-13-6-3-5-12(20)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,22,26)