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

Systemtic Name: 6-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-(2-keto-2-pyrrolidino-ethyl)-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O2S/c1-13-16(12-17(23)22-10-6-7-11-22)18(24)21-19(20-13)25-14(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H,20,21,24)/p-1/t14-/m0/s1