Molecule ID: 2723601

IUPAC Name: 2-amino-3,7-dihydropurine-6-thione

Description: The molecule is a 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. It has a role as an antineoplastic agent, an antimetabolite and an anticoronaviral agent.

SMILES: N=c1nc(S)c2nc[nH]c2[nH]1

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

InChI: InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: -0.1