3-(2,2-dimethylpropanoyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2,2-dimethylpropanoyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2,2-dimethylpropanoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2,2-dimethyl-1-oxopropyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2,2-dimethylpropanoyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-3-pivaloyl-2-thioxo-1H-quinazolin-4-one Formula: C13H13IN2O2S MolecularWeight: 388.22399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

Isomeric SMILES

CC(C)(C)C(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

InChI

InChI=1S/C13H13IN2O2S/c1-13(2,3)11(18)16-10(17)8-6-7(14)4-5-9(8)15-12(16)19/h4-6H,1-3H3,(H,15,19)