2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(diisopropylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H26N3O2S- MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N(C(C)C)C(C)C)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N(C(C)C)C(C)C)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O2S/c1-13(2)23(14(3)4)18(24)12-26-20-21-15(5)17(19(25)22-20)11-16-9-7-6-8-10-16/h6-10,13-14H,11-12H2,1-5H3,(H,21,22,25)/p-1