[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N=CC=C3)N4CCCC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N=CC=C3)N4CCCC4)CC

InChI

InChI=1S/C22H28N6O4/c1-3-5-13-28-19-17(20(29)25-22(28)31)27(4-2)16(24-19)14-32-21(30)15-9-8-10-23-18(15)26-11-6-7-12-26/h8-10H,3-7,11-14H2,1-2H3,(H,25,29,31)