2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(diethylamino)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(diethylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O2S/c1-4-21(5-2)16(22)12-24-18-19-13(3)15(17(23)20-18)11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,19,20,23)/p-1