6-methyl-2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H16N3O3S- MolecularWeight: 318.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCOC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCOC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-11-9-13(19)18-15(17-11)22-10-14(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,18,19)/p-1