Molecule ID: 667490

IUPAC Name: 3,7-dihydropurine-6-thione

Description: The molecule is a thiol that is the tautomer of mercaptopurine. It has a role as an antineoplastic agent and an antimetabolite. It is a tautomer of a mercaptopurine. It derives from a hydride of a 7H-purine.

SMILES: Sc1ncnc2[nH]cnc12

SELFIES: [S][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1]

InChI: InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 0.0