5-(butylsulfanylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(butylsulfanylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(butylsulfanylmethyl)-5-isopropyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(butylthio)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(butylsulfanylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(butylthio)methyl]-5-isopropyl-barbituric acid Formula: C12H20N2O3S MolecularWeight: 272.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)NC(=O)NC1=O)C(C)C

Isomeric SMILES

CCCCSCC1(C(=O)NC(=O)NC1=O)C(C)C

InChI

InChI=1S/C12H20N2O3S/c1-4-5-6-18-7-12(8(2)3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)