2-[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[7-(2-amino-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid CAS Name: 2-[[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid IUPAC Name: 2-[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid Traditional Name: 2-[[7-(2-amino-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid Formula: C10H11N5O5S MolecularWeight: 313.28984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(=O)N

InChI

InChI=1S/C10H11N5O5S/c1-14-7-6(8(19)13-9(14)20)15(2-4(11)16)10(12-7)21-3-5(17)18/h2-3H2,1H3,(H2,11,16)(H,17,18)(H,13,19,20)