7-[(E)-but-2-enyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O2S/c1-3-4-5-14-6-7(11-10(14)17)13(2)9(16)12-8(6)15/h3-4H,5H2,1-2H3,(H,11,17)(H,12,15,16)/b4-3+