[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H22BrN5O4 MolecularWeight: 464.31308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CN=C3)Br)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CN=C3)Br)CCC

InChI

InChI=1S/C19H22BrN5O4/c1-3-5-7-25-16-15(17(26)23-19(25)28)24(6-4-2)14(22-16)11-29-18(27)12-8-13(20)10-21-9-12/h8-10H,3-7,11H2,1-2H3,(H,23,26,28)