Molecule ID: 44268086

IUPAC Name: 6-[(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione

Description: The molecule is a carboxamidinium ion obtained by protonation of the amidine function of tipiracil. It is a conjugate acid of a tipiracil.

SMILES: [NH2+]=C1CCCN1Cc1nc(O)nc(O)c1Cl

SELFIES: [NH2+1][=C][C][C][C][N][Ring1][Branch1][C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][Cl]

InChI: InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/p+1

Molecular Properties:
- Polar Surface Area: 87.2 Ų
- LogP: -1.4