[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18FN5O5 MolecularWeight: 403.364423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

InChI

InChI=1S/C18H18FN5O5/c1-10-4-5-11(6-12(10)19)21-13(25)8-29-14(26)7-24-9-20-16-15(24)17(27)23(3)18(28)22(16)2/h4-6,9H,7-8H2,1-3H3,(H,21,25)