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

Systemtic Name: 2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H18N3O2S- MolecularWeight: 364.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H19N3O2S/c1-14-12-17(24)23-20(21-14)26-13-18(25)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3,(H,22,25)(H,21,23,24)/p-1