2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]ethyl 4-fluoranylbenzoate

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]ethyl 4-fluoranylbenzoate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl ester IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]ethyl ester Formula: C16H16FN5O4 MolecularWeight: 361.327743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCOC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCOC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN5O4/c1-21-12-11(13(23)22(2)16(21)25)19-15(20-12)18-7-8-26-14(24)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3,(H2,18,19,20)