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

Systemtic Name: ethyl (2R)-2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl (2R)-2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1S[C@H](C)C(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-5-7-8-9-10-11-22-13-14(21(4)17(25)20-15(13)23)19-18(22)27-12(3)16(24)26-6-2/h12H,5-11H2,1-4H3,(H,20,23,25)/t12-/m1/s1