4-azanyl-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

Systemtic Name: 4-azanyl-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Openeye Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid CAS Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolo[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Traditional Name: 4-amino-1-(2,4-dichlorobenzyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Formula: C13H9Cl2N5O2 MolecularWeight: 338.14886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C(=N2)C(=O)O)C(=NC=N3)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C(=N2)C(=O)O)C(=NC=N3)N

InChI

InChI=1S/C13H9Cl2N5O2/c14-7-2-1-6(8(15)3-7)4-20-12-9(10(19-20)13(21)22)11(16)17-5-18-12/h1-3,5H,4H2,(H,21,22)(H2,16,17,18)