6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O2S/c26-20(23-13-7-12-17-8-3-1-4-9-17)14-19-15-21(27)25-22(24-19)28-16-18-10-5-2-6-11-18/h1-6,8-11,15H,7,12-14,16H2,(H,23,26)(H,24,25,27)/p-1