4-(8-chloranyl-9-methyl-purin-6-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(8-chloranyl-9-methyl-purin-6-yl)piperazine-1-carboxylic acid Openeye Name: 4-(8-chloro-9-methyl-purin-6-yl)piperazine-1-carboxylic acid CAS Name: 4-(8-chloro-9-methyl-6-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(8-chloro-9-methylpurin-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-(8-chloro-9-methyl-purin-6-yl)piperazine-1-carboxylic acid Formula: C11H13ClN6O2 MolecularWeight: 296.71292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN6O2/c1-16-8-7(15-10(16)12)9(14-6-13-8)17-2-4-18(5-3-17)11(19)20/h6H,2-5H2,1H3,(H,19,20)