7-(2-methoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-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)NC1=O)N(C(=S)N2)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCOC

InChI

InChI=1S/C9H12N4O3S/c1-12-6-5(7(14)11-8(12)15)13(3-4-16-2)9(17)10-6/h3-4H2,1-2H3,(H,10,17)(H,11,14,15)