2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-[(2S,6S)-2,6-dimethylpiperidino]ethanone Formula: C14H20N6OS MolecularWeight: 320.4132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C14H20N6OS/c1-8-4-3-5-9(2)20(8)10(21)6-22-14-18-11-12(15)16-7-17-13(11)19-14/h7-9H,3-6H2,1-2H3,(H3,15,16,17,18,19)/t8-,9-/m0/s1