3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H12N4O2S/c1-4(2)13-5-6(10-9(13)16)12(3)8(15)11-7(5)14/h4H,1-3H3,(H,10,16)(H,11,14,15)