5-ethyl-5-(hexylsulfanylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-5-(hexylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-(hexylsulfanylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-[(hexylthio)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-(hexylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-ethyl-5-[(hexylthio)methyl]barbituric acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1(C(=O)NC(=O)NC1=O)CC

Isomeric SMILES

CCCCCCSCC1(C(=O)NC(=O)NC1=O)CC

InChI

InChI=1S/C13H22N2O3S/c1-3-5-6-7-8-19-9-13(4-2)10(16)14-12(18)15-11(13)17/h3-9H2,1-2H3,(H2,14,15,16,17,18)