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

Systemtic Name: pentyl 2-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-butyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-butyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid amyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H26N4O4S/c1-4-6-8-10-25-12(22)11-26-17-18-14-13(21(17)9-7-5-2)15(23)19-16(24)20(14)3/h4-11H2,1-3H3,(H,19,23,24)