Molecule ID: 135939124

IUPAC Name: 2-[4-(aminomethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one

Description: The molecule is a thiopyranopyrimidine that is 1,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one which is substituted at position 2 by a p-(aminomethyl)phenyl group. It is a thiopyranopyrimidine, an organic sulfide and a primary amino compound.

SMILES: NCc1ccc(-c2nc(=O)c3c([nH]2)CCSC3)cc1

SELFIES: [N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][C][C][S][C][Ring1][#Branch1][C][=C][Ring1][P]

InChI: InChI=1S/C14H15N3OS/c15-7-9-1-3-10(4-2-9)13-16-12-5-6-19-8-11(12)14(18)17-13/h1-4H,5-8,15H2,(H,16,17,18)

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: 0.3