ethyl 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoate

Systemtic Name: ethyl 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoate Openeye Name: ethyl 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoate CAS Name: 5-[(2-methyl-7H-purin-6-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoate Traditional Name: 5-[(2-methyl-7H-purin-6-yl)thio]valeric acid ethyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC(=NC2=C1NC=N2)C

Isomeric SMILES

CCOC(=O)CCCCSC1=NC(=NC2=C1NC=N2)C

InChI

InChI=1S/C13H18N4O2S/c1-3-19-10(18)6-4-5-7-20-13-11-12(15-8-14-11)16-9(2)17-13/h8H,3-7H2,1-2H3,(H,14,15,16,17)