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

Systemtic Name: ethyl 5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoate Openeye Name: ethyl 5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoate CAS Name: 5-[(2-amino-7H-purin-6-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoate Traditional Name: 5-[(2-amino-7H-purin-6-yl)thio]valeric acid ethyl ester Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-2-19-8(18)5-3-4-6-20-11-9-10(15-7-14-9)16-12(13)17-11/h7H,2-6H2,1H3,(H3,13,14,15,16,17)