6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C25H27N4O2S- MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-18-22(24(31)27-25(26-18)32-19(2)20-9-5-3-6-10-20)17-23(30)29-15-13-28(14-16-29)21-11-7-4-8-12-21/h3-12,19H,13-17H2,1-2H3,(H,26,27,31)/p-1/t19-/m0/s1