2-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C12H17N4O3S- MolecularWeight: 297.35338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)NC(=O)NC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)NC(=O)NC)[O-]

InChI

InChI=1S/C12H18N4O3S/c1-4-5-8-6-9(17)15-12(14-8)20-7(2)10(18)16-11(19)13-3/h6-7H,4-5H2,1-3H3,(H,14,15,17)(H2,13,16,18,19)/p-1/t7-/m1/s1