2-sulfanylidene-1,3-diazinane-4,6-dione; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: 2-thioxohexahydropyrimidine-4,6-dione; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 2-thioxohexahydropyrimidine-4,6-quinone; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.C1C(=O)NC(=S)NC1=O

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.C1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C9H14O.C4H4N2O2S/c1-7-4-8(10)6-9(2,3)5-7;7-2-1-3(8)6-4(9)5-2/h4H,5-6H2,1-3H3;1H2,(H2,5,6,7,8,9)