ethyl 4-[2-oxidanyl-3-(7H-purin-6-ylsulfanyl)propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanyl-3-(7H-purin-6-ylsulfanyl)propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-hydroxy-3-(7H-purin-6-ylsulfanyl)propyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-3-(7H-purin-6-ylthio)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(7H-purin-6-ylsulfanyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-3-(7H-purin-6-ylthio)propyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H22N6O3S MolecularWeight: 366.43858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(CSC2=NC=NC3=C2NC=N3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(CSC2=NC=NC3=C2NC=N3)O

InChI

InChI=1S/C15H22N6O3S/c1-2-24-15(23)21-5-3-20(4-6-21)7-11(22)8-25-14-12-13(17-9-16-12)18-10-19-14/h9-11,22H,2-8H2,1H3,(H,16,17,18,19)