2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(m-anisylamino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-26-16-9-5-6-14(10-16)12-21-19(25)13-27-20-22-17(11-18(24)23-20)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)/p-1