7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-(methoxymethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(methoxymethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)COC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)COC

InChI

InChI=1S/C9H12N4O3S/c1-11-6-5(7(14)12(2)9(11)15)13(4-16-3)8(17)10-6/h4H2,1-3H3,(H,10,17)