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

Systemtic Name: 3-methyl-7-(2-oxidanylidenepropyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-acetonyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-(2-oxopropyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-(2-oxopropyl)-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-acetonyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=O)CN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H10N4O3S/c1-4(14)3-13-5-6(10-9(13)17)12(2)8(16)11-7(5)15/h3H2,1-2H3,(H,10,17)(H,11,15,16)