ethyl 4-(2-chloranyl-7H-purin-6-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-7H-purin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-chloro-7H-purin-6-yl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-7H-purin-6-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-7H-purin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-7H-purin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C12H15ClN6O2 MolecularWeight: 310.7395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C12H15ClN6O2/c1-2-21-12(20)19-5-3-18(4-6-19)10-8-9(15-7-14-8)16-11(13)17-10/h7H,2-6H2,1H3,(H,14,15,16,17)