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9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate

9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate

Systemtic Name:9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate
Openeye Name:9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate
CAS Name:9-(1-piperidin-1-iumylmethyl)-6-purinethiolate
IUPAC Name:9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate
Traditional Name:9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate
Formula: C11H15N5S
MolecularWeight: 249.3353
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C=NC3=C2N=CN=C3[S-]


Isomeric SMILES

C1CC[NH+](CC1)CN2C=NC3=C2N=CN=C3[S-]


InChI

InChI=1S/C11H15N5S/c17-11-9-10(12-6-13-11)16(7-14-9)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2,(H,12,13,17)


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