[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H24N4O4S MolecularWeight: 368.45116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H24N4O4S/c1-8(2)13(14(22)20-15(17)23)24-12(21)7-6-11-9(3)18-16(25-5)19-10(11)4/h8,13H,6-7H2,1-5H3,(H3,17,20,22,23)