methyl (2S,4S)-4-(6-benzamidopurin-9-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(6-benzamidopurin-9-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(6-benzamidopurin-9-yl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(6-benzamido-9-purinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(6-benzamidopurin-9-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(6-benzamidopurin-9-yl)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O3/c1-27-18(26)13-7-12(8-19-13)24-10-22-14-15(20-9-21-16(14)24)23-17(25)11-5-3-2-4-6-11/h2-6,9-10,12-13,19H,7-8H2,1H3,(H,20,21,23,25)/t12-,13-/m0/s1