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

Systemtic Name: pentyl 2-[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C15H21N5O5S MolecularWeight: 383.42274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O5S/c1-3-4-5-6-25-10(22)8-26-15-17-12-11(20(15)7-9(16)21)13(23)18-14(24)19(12)2/h3-8H2,1-2H3,(H2,16,21)(H,18,23,24)