ethyl 2-[4-[5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoyl]piperazin-1-yl]acetate CAS Name: 2-[4-[5-(4,6-dihydro-1H-purin-6-ylthio)-1-oxopentyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[5-(4,6-dihydro-1H-purin-6-ylthio)pentanoyl]piperazino]acetic acid ethyl ester Formula: C18H28N6O3S MolecularWeight: 408.51832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)CCCCSC2C3=NC=NC3N=CN2

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)CCCCSC2C3=NC=NC3N=CN2

InChI

InChI=1S/C18H28N6O3S/c1-2-27-15(26)11-23-6-8-24(9-7-23)14(25)5-3-4-10-28-18-16-17(20-12-19-16)21-13-22-18/h12-13,17-18H,2-11H2,1H3,(H,21,22)