methyl 2-[7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-1-yl]ethanoate Openeye Name: methyl 2-[7-[(2-chloro-6-fluoro-phenyl)methyl]-3-ethyl-2,6-dioxo-8-(1-piperidyl)purin-1-yl]acetate CAS Name: 2-[7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-2,6-dioxo-8-(1-piperidinyl)-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl]acetate Traditional Name: 2-[7-(2-chloro-6-fluoro-benzyl)-3-ethyl-2,6-diketo-8-piperidino-purin-1-yl]acetic acid methyl ester Formula: C22H25ClFN5O4 MolecularWeight: 477.916403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H25ClFN5O4/c1-3-27-19-18(20(31)29(22(27)32)13-17(30)33-2)28(12-14-15(23)8-7-9-16(14)24)21(25-19)26-10-5-4-6-11-26/h7-9H,3-6,10-13H2,1-2H3