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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H27N5O6S MolecularWeight: 441.50188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCCN3S(=O)(=O)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCCN3S(=O)(=O)C)CC

InChI

InChI=1S/C18H27N5O6S/c1-4-6-9-22-15-14(16(24)20-18(22)26)21(5-2)13(19-15)11-29-17(25)12-8-7-10-23(12)30(3,27)28/h12H,4-11H2,1-3H3,(H,20,24,26)