O1-tert-butyl O2-methyl (2S,4S)-4-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4S)-4-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4S)-4-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-[2-(isobutyrylamino)-6-keto-3H-purin-7-yl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C20H28N6O6 MolecularWeight: 448.47292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2C3CC(N(C3)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@H](N(C3)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C20H28N6O6/c1-10(2)15(27)23-18-22-14-13(16(28)24-18)26(9-21-14)11-7-12(17(29)31-6)25(8-11)19(30)32-20(3,4)5/h9-12H,7-8H2,1-6H3,(H2,22,23,24,27,28)/t11-,12-/m0/s1