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

Systemtic Name: ethyl 4-[3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2-chloro-7H-purin-6-yl)thio]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2-chloro-7H-purin-6-yl)thio]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19ClN6O3S MolecularWeight: 398.86776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H19ClN6O3S/c1-2-25-15(24)22-6-4-21(5-7-22)10(23)3-8-26-13-11-12(18-9-17-11)19-14(16)20-13/h9H,2-8H2,1H3,(H,17,18,19,20)