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

Systemtic Name: (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylpropanoate CAS Name: (2R)-2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]propanoate IUPAC Name: (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]propionate Formula: C12H15N4O5S- MolecularWeight: 327.3363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O5S/c1-6(10(18)19)22-12-13-8-7(16(12)4-5-21-3)9(17)14-11(20)15(8)2/h6H,4-5H2,1-3H3,(H,18,19)(H,14,17,20)/p-1/t6-/m1/s1