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

Systemtic Name: pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-isopropyl-2,6-diketo-3-methyl-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(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24N4O4S/c1-5-6-7-8-24-11(21)9-25-16-17-13-12(20(16)10(2)3)14(22)18-15(23)19(13)4/h10H,5-9H2,1-4H3,(H,18,22,23)