2-[2-[(4-methoxy-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methoxy-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxy-2,5-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxy-2,5-dimethylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxy-2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methoxy-2,5-dimethyl-anilino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1OC)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-13-10-18(27-3)14(2)9-16(13)22-20(26)12-28-21-23-17(11-19(25)24-21)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)/p-1