2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylthio]acetic acid IUPAC Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2,6-diketo-3-methyl-7H-purin-8-yl)methylthio]acetic acid Formula: C9H10N4O4S MolecularWeight: 270.2651

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)CSCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)CSCC(=O)O

InChI

InChI=1S/C9H10N4O4S/c1-13-7-6(8(16)12-9(13)17)10-4(11-7)2-18-3-5(14)15/h2-3H2,1H3,(H,10,11)(H,14,15)(H,12,16,17)