ethyl 4-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2-chloro-7H-purin-6-yl)amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H20ClN7O3 MolecularWeight: 381.8174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H20ClN7O3/c1-2-26-15(25)23-7-5-22(6-8-23)10(24)3-4-17-12-11-13(19-9-18-11)21-14(16)20-12/h9H,2-8H2,1H3,(H2,17,18,19,20,21)