3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-bromanylpyridine-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H16BrN5O4 MolecularWeight: 422.23334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H16BrN5O4/c1-20-9-19-13-12(20)14(23)22(16(25)21(13)2)4-3-5-26-15(24)10-6-11(17)8-18-7-10/h6-9H,3-5H2,1-2H3