ethyl 2-oxidanylidene-3-(7H-purin-6-ylsulfanyl)propanoate

Systemtic Name: ethyl 2-oxidanylidene-3-(7H-purin-6-ylsulfanyl)propanoate Openeye Name: ethyl 2-oxo-3-(7H-purin-6-ylsulfanyl)propanoate CAS Name: 2-oxo-3-(7H-purin-6-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-(7H-purin-6-ylsulfanyl)propanoate Traditional Name: 2-keto-3-(7H-purin-6-ylthio)propionic acid ethyl ester Formula: C10H10N4O3S MolecularWeight: 266.2764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)C(=O)CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C10H10N4O3S/c1-2-17-10(16)6(15)3-18-9-7-8(12-4-11-7)13-5-14-9/h4-5H,2-3H2,1H3,(H,11,12,13,14)