ethyl 2-[[7-(4-methoxyphenyl)-6-oxidanylidene-3H-purin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[7-(4-methoxyphenyl)-6-oxidanylidene-3H-purin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[7-(4-methoxyphenyl)-6-oxo-3H-purin-2-yl]sulfanyl]acetate CAS Name: 2-[[7-(4-methoxyphenyl)-6-oxo-3H-purin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-(4-methoxyphenyl)-6-oxo-3H-purin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-keto-7-(4-methoxyphenyl)-3H-purin-2-yl]thio]acetic acid ethyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)N=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)N=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H16N4O4S/c1-3-24-12(21)8-25-16-18-14-13(15(22)19-16)20(9-17-14)10-4-6-11(23-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,18,19,22)