ethyl 1-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]isonipecotic acid ethyl ester Formula: C17H22BrN5O5 MolecularWeight: 456.29108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C17H22BrN5O5/c1-4-28-15(26)10-5-7-22(8-6-10)11(24)9-23-13-12(19-16(23)18)14(25)21(3)17(27)20(13)2/h10H,4-9H2,1-3H3