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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H29N5O6S MolecularWeight: 455.52846

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O6S/c1-4-6-10-23-16-15(17(25)21-19(23)27)22(9-5-2)14(20-16)12-30-18(26)13-8-7-11-24(13)31(3,28)29/h13H,4-12H2,1-3H3,(H,21,25,27)