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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl pyridine-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl pyridine-2-carboxylate CAS Name: 2-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 pyridine-2-carboxylate Traditional Name: picolinic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=N3)CCC

InChI

InChI=1S/C19H23N5O4/c1-3-5-11-24-16-15(17(25)22-19(24)27)23(10-4-2)14(21-16)12-28-18(26)13-8-6-7-9-20-13/h6-9H,3-5,10-12H2,1-2H3,(H,22,25,27)