2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-4,5-dihydropurin-8-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-4,5-dihydropurin-8-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(7-isopropyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)sulfanyl]acetic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)thio]acetic acid IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)sulfanyl]acetic acid Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)thio]acetic acid Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O4S/c1-6(2)16-8-9(13-11(16)21-5-7(17)18)14(3)12(20)15(4)10(8)19/h6,8-9H,5H2,1-4H3,(H,17,18)