| 2D Structure | |
| CID | 5359277 |
| Target | Chain A, Phenylethanolamine N-methyltransferase (human) |
| IUPAC Name | 6-chloro-7H-purine |
| InChI | InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) |
| InChI Key | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
| Canonical SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Isomeric SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Molecular Formula | C5H3ClN4 |
| Molecular Weight | 154.56 |
| synonyms | ['6-CHLOROPURINE', '87-42-3', '6-Chloro-9H-purine', '1H-Purine, 6-chloro-', '6-Chloro-1H-purine', 'Purine, 6-chloro-', '6-Chlorpurine', 'SK 6048', 'NSC 744', 'EINECS 201-745-6', 'AI3-26401', 'NSC-744', 'OH8700156W', '6-CHLOROPURINE [MI]', 'DTXSID00861673', '6Chlorpurine', '6Chloro1Hpurine', 'Purine, 6chloro', '1HPurine, 6chloro', '1HPurine, 6chloro (9CI)', '1H-Purine, 6-chloro-(9CI)', 'DTXCID50207764', '201-745-6', '6-chloro-7H-purine', '6-CP', '6-Chloropurin-9-yl', '111055-92-6', '6-chloropurin', 'X 47', 'MFCD00075825', 'ClP', '6-chloro purine', '133762-83-1', 'CCRIS 3908', '6-chloro-purine', 'UNII-OH8700156W', '3kqo', '6-chlor-7H-purin', '6-Chloropurine, 99%', '6-Chloropurine, crystalline', 'SCHEMBL9081', '6-Chloropurine, >=99%', 'CHEMBL140037', 'NSC744', 'SCHEMBL21121896', 'ZKBQDFAWXLTYKS-UHFFFAOYSA-', 'US9138393, 6-Chloropurine', 'US9144538, 6-Chloropurine', 'CHEBI:177625', 'BDBM181123', 'ALBB-006044', 'BCP27820', 'HY-Y0247', 'STR05267', 's4801', 'STK501251', 'WLN: T56 BM DN FN HNJ IG', 'AKOS000267571', 'AKOS005259271', '6-Chloropurine, >=95.0% (HPLC)', 'AB02899', 'AC-3252', 'CCG-266258', 'CS-W008651', 'FC06554', 'PS-3424', '6-Chloro-9H-purine;6-chloro-7H-purine', 'BP-10522', 'PD088415', 'SY004779', 'DB-007147', 'NS00041124', 'EN300-30395', 'AG-670/31548001', 'Q27285654', 'F0001-2162', 'Z295458158', 'InChI=1/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)'] |
From Pubchem