ethyl 4-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-chloro-7H-purin-6-yl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H18ClN7O3 MolecularWeight: 367.79082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H18ClN7O3/c1-2-25-14(24)22-5-3-21(4-6-22)9(23)7-16-11-10-12(18-8-17-10)20-13(15)19-11/h8H,2-7H2,1H3,(H2,16,17,18,19,20)