1-[(2S)-2-[(6-aminopurin-9-yl)methyl]pyrrolidin-1-yl]-2,2-bis(chloranyl)ethanone

Systemtic Name: 1-[(2S)-2-[(6-aminopurin-9-yl)methyl]pyrrolidin-1-yl]-2,2-bis(chloranyl)ethanone Openeye Name: 1-[(2S)-2-[(6-aminopurin-9-yl)methyl]pyrrolidin-1-yl]-2,2-dichloro-ethanone CAS Name: 1-[(2S)-2-[(6-aminopurin-9-yl)methyl]-1-pyrrolidinyl]-2,2-dichloroethanone IUPAC Name: 1-[(2S)-2-[(6-aminopurin-9-yl)methyl]pyrrolidin-1-yl]-2,2-dichloroethanone Traditional Name: 1-[(2S)-2-(adenin-9-ylmethyl)pyrrolidino]-2,2-dichloro-ethanone Formula: C12H14Cl2N6O MolecularWeight: 329.18516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(Cl)Cl)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(Cl)Cl)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H14Cl2N6O/c13-9(14)12(21)20-3-1-2-7(20)4-19-6-18-8-10(15)16-5-17-11(8)19/h5-7,9H,1-4H2,(H2,15,16,17)/t7-/m0/s1