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

Systemtic Name: 2-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(dibenzylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(dibenzylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(dibenzylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C26H22N3O2S- MolecularWeight: 440.53678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S/c30-24-16-23(22-14-8-3-9-15-22)27-26(28-24)32-19-25(31)29(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-16H,17-19H2,(H,27,28,30)/p-1