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

Systemtic Name: ethyl 4-[2-(7H-purin-6-ylsulfanyl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(7H-purin-6-ylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(7H-purin-6-ylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(7H-purin-6-ylsulfanyl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(7H-purin-6-ylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H18N6O3S MolecularWeight: 350.39612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O3S/c1-2-23-14(22)20-5-3-19(4-6-20)10(21)7-24-13-11-12(16-8-15-11)17-9-18-13/h8-9H,2-7H2,1H3,(H,15,16,17,18)