2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-15(17-8-4-3-5-9-17)23-20(26)12-18-13-21(27)25-22(24-18)29-14-16-7-6-10-19(11-16)28-2/h3-11,13,15H,12,14H2,1-2H3,(H,23,26)(H,24,25,27)/p-1/t15-/m1/s1