5-butyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-butyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-butyl-5-(ethylsulfanylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-butyl-5-[(ethylthio)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-butyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-butyl-5-[(ethylthio)methyl]barbituric acid Formula: C11H18N2O3S MolecularWeight: 258.33722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=O)NC1=O)CSCC

Isomeric SMILES

CCCCC1(C(=O)NC(=O)NC1=O)CSCC

InChI

InChI=1S/C11H18N2O3S/c1-3-5-6-11(7-17-4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)