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

Systemtic Name: methyl (2R)-2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S/c1-5-6-7-8-19-10-11(18(3)14(22)17-12(10)20)16-15(19)24-9(2)13(21)23-4/h9H,5-8H2,1-4H3,(H,17,20,22)/t9-/m1/s1