2-[7-[(2S)-butan-2-yl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: 2-[7-[(2S)-butan-2-yl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[3-methyl-7-[(1S)-1-methylpropyl]-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(2S)-butan-2-yl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[7-[(2S)-butan-2-yl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-[(1S)-1-methylpropyl]purin-8-yl]thio]acetate Formula: C12H15N4O4S- MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC[C@H](C)N1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O4S/c1-4-6(2)16-8-9(13-12(16)21-5-7(17)18)15(3)11(20)14-10(8)19/h6H,4-5H2,1-3H3,(H,17,18)(H,14,19,20)/p-1/t6-/m0/s1