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

Systemtic Name: pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)thio]acetic acid amyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24N4O4S/c1-4-6-7-9-24-11(21)10-25-16-17-13-12(20(16)8-5-2)14(22)18-15(23)19(13)3/h4-10H2,1-3H3,(H,18,22,23)