6-methyl-5-[3-oxidanylidene-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-[3-[(2S)-2-benzylpyrrolidin-1-yl]-3-oxo-propyl]-2-benzylsulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[3-oxo-3-[(2S)-2-(phenylmethyl)-1-pyrrolidinyl]propyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[(2S)-2-benzylpyrrolidin-1-yl]-3-oxopropyl]-2-benzylsulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-[3-[(2S)-2-benzylpyrrolidino]-3-keto-propyl]-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C26H28N3O2S- MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N3CCCC3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N3CCC[C@H]3CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-19-23(25(31)28-26(27-19)32-18-21-11-6-3-7-12-21)14-15-24(30)29-16-8-13-22(29)17-20-9-4-2-5-10-20/h2-7,9-12,22H,8,13-18H2,1H3,(H,27,28,31)/p-1/t22-/m0/s1