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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H14N3O2S- MolecularWeight: 288.34486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H15N3O2S/c1-10-7-12(18)17-14(16-10)20-9-13(19)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)/p-1