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

Systemtic Name: 5-ethyl-5-(pentylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-(pentylsulfanylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-[(pentylthio)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-(pentylsulfanylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(amylthio)methyl]-5-ethyl-barbituric acid Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1(C(=O)NC(=O)NC1=O)CC

Isomeric SMILES

CCCCCSCC1(C(=O)NC(=O)NC1=O)CC

InChI

InChI=1S/C12H20N2O3S/c1-3-5-6-7-18-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)