ethyl 2-[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(2-amino-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-(2-amino-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid ethyl ester Formula: C12H15N5O5S MolecularWeight: 341.343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC(=O)N)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC(=O)N)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H15N5O5S/c1-3-22-7(19)5-23-12-14-9-8(17(12)4-6(13)18)10(20)15-11(21)16(9)2/h3-5H2,1-2H3,(H2,13,18)(H,15,20,21)