Molecule ID: 5546

IUPAC Name: 6-phenylpteridine-2,4,7-triamine

Description: The molecule is pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. It has a role as a diuretic and a sodium channel blocker.

SMILES: N=c1[nH]c2nc(=N)c(-c3ccccc3)nc-2c(N)[nH]1

SELFIES: [N][=C][NH1][C][=N][C][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Branch1][C][N][NH1][Ring2][Ring1][C]

InChI: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 1.0