ethyl 3-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]propanoate

Systemtic Name: ethyl 3-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]propanoate CAS Name: 3-[(2-oxo-3,7-dihydropurin-6-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]propanoate Traditional Name: 3-[(2-keto-3,7-dihydropurin-6-yl)thio]propionic acid ethyl ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC(=O)NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)CCSC1=NC(=O)NC2=C1NC=N2

InChI

InChI=1S/C10H12N4O3S/c1-2-17-6(15)3-4-18-9-7-8(12-5-11-7)13-10(16)14-9/h5H,2-4H2,1H3,(H2,11,12,13,14,16)