7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C11H13ClN4O2S MolecularWeight: 300.76452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C11H13ClN4O2S/c1-6(12)4-5-16-7-8(13-10(16)19)14(2)11(18)15(3)9(7)17/h4H,5H2,1-3H3,(H,13,19)/b6-4+