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

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H19N4O3S- MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)NC(=O)NC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)NC(=O)NC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-3-7-13-10-14(22)20-17(19-13)25-11(2)15(23)21-16(24)18-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,19,20,22)(H2,18,21,23,24)/p-1/t11-/m1/s1