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

Systemtic Name: ethyl (2R)-2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylbutanoate Openeye Name: ethyl (2R)-2-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylbutanoate CAS Name: (2R)-2-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1S[C@H](CC)C(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N4O4S/c1-5-8-9-10-21-12-13(20(4)16(24)19-14(12)22)18-17(21)26-11(6-2)15(23)25-7-3/h11H,5-10H2,1-4H3,(H,19,22,24)/t11-/m1/s1