Molecule ID: 6141615

IUPAC Name: methyl 7H-purine-6-carboxylate

Description: The molecule is a methyl ester that is purine bearing a methoxycarbonyl substituent at position 6. It is a member of purines and a methyl ester.

SMILES: COC(=O)c1nc[nH]c2ncnc1-2

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

InChI: InChI=1S/C7H6N4O2/c1-13-7(12)5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 80.8 Ų
- LogP: 0.4