2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(2-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(2-pyridylmethylamino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H20N4O3S/c1-27-17-7-4-5-14(9-17)13-28-20-23-16(11-19(26)24-20)10-18(25)22-12-15-6-2-3-8-21-15/h2-9,11H,10,12-13H2,1H3,(H,22,25)(H,23,24,26)/p-1