5-(butylsulfanylmethyl)-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)NC(=O)N(C1=O)C)CCC

Isomeric SMILES

CCCCSCC1(C(=O)NC(=O)N(C1=O)C)CCC

InChI

InChI=1S/C13H22N2O3S/c1-4-6-8-19-9-13(7-5-2)10(16)14-12(18)15(3)11(13)17/h4-9H2,1-3H3,(H,14,16,18)