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

Systemtic Name: 6-methyl-2-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-[benzyl(methyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[benzyl(methyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-11-8-13(19)17-15(16-11)21-10-14(20)18(2)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,16,17,19)/p-1