Molecule ID: 657298

IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

Description: The molecule is a pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group. It has a role as an antithyroid drug, a carcinogenic agent, an antimetabolite, a hormone antagonist, an EC 1.14.13.39 (nitric oxide synthase) inhibitor, an antioxidant and an antidote to paracetamol poisoning. It derives from a uracil.

SMILES: CCCc1cc(O)nc(S)n1

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

InChI: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 73.2 Ų
- LogP: 0.8