4-(2-chloranyl-9-methyl-8-oxidanylidene-7H-purin-6-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-chloranyl-9-methyl-8-oxidanylidene-7H-purin-6-yl)piperazine-1-carboxylic acid Openeye Name: 4-(2-chloro-9-methyl-8-oxo-7H-purin-6-yl)piperazine-1-carboxylic acid CAS Name: 4-(2-chloro-9-methyl-8-oxo-7H-purin-6-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-chloro-9-methyl-8-oxo-7H-purin-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2-chloro-8-keto-9-methyl-7H-purin-6-yl)piperazine-1-carboxylic acid Formula: C11H13ClN6O3 MolecularWeight: 312.71232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)Cl)N3CCN(CC3)C(=O)O)NC1=O

Isomeric SMILES

CN1C2=C(C(=NC(=N2)Cl)N3CCN(CC3)C(=O)O)NC1=O

InChI

InChI=1S/C11H13ClN6O3/c1-16-7-6(13-10(16)19)8(15-9(12)14-7)17-2-4-18(5-3-17)11(20)21/h2-5H2,1H3,(H,13,19)(H,20,21)