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

Systemtic Name: methyl (2R)-2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1S[C@H](C)C(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O4S/c1-5-6-7-8-9-20-11-12(19(3)15(23)18-13(11)21)17-16(20)25-10(2)14(22)24-4/h10H,5-9H2,1-4H3,(H,18,21,23)/t10-/m1/s1