4-[2,8-bis(chloranyl)-9-methyl-purin-6-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2,8-bis(chloranyl)-9-methyl-purin-6-yl]piperazine-1-carboxylic acid Openeye Name: 4-(2,8-dichloro-9-methyl-purin-6-yl)piperazine-1-carboxylic acid CAS Name: 4-(2,8-dichloro-9-methyl-6-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2,8-dichloro-9-methylpurin-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2,8-dichloro-9-methyl-purin-6-yl)piperazine-1-carboxylic acid Formula: C11H12Cl2N6O2 MolecularWeight: 331.15798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)Cl)N3CCN(CC3)C(=O)O)N=C1Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)Cl)N3CCN(CC3)C(=O)O)N=C1Cl

InChI

InChI=1S/C11H12Cl2N6O2/c1-17-7-6(14-10(17)13)8(16-9(12)15-7)18-2-4-19(5-3-18)11(20)21/h2-5H2,1H3,(H,20,21)