2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[benzyl(phenethyl)amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[benzyl(phenethyl)amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[benzyl(phenethyl)amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C21H21N3O2S/c25-19-11-13-22-21(23-19)27-16-20(26)24(15-18-9-5-2-6-10-18)14-12-17-7-3-1-4-8-17/h1-11,13H,12,14-16H2,(H,22,23,25)/p-1