5-butyl-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-butyl-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-butyl-5-isopentyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-butyl-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-butyl-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-butyl-5-isoamyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H22N2O2S MolecularWeight: 270.39098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=S)NC1=O)CCC(C)C

Isomeric SMILES

CCCCC1(C(=O)NC(=S)NC1=O)CCC(C)C

InChI

InChI=1S/C13H22N2O2S/c1-4-5-7-13(8-6-9(2)3)10(16)14-12(18)15-11(13)17/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)