6-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(4-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(4-pyridylmethylamino)ethyl]pyrimidin-4-olate Formula: C19H17N4O2S- MolecularWeight: 365.42888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H18N4O2S/c24-17(21-12-14-6-8-20-9-7-14)10-16-11-18(25)23-19(22-16)26-13-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,24)(H,22,23,25)/p-1