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

Systemtic Name: 2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O2S/c1-2-9-18-14-19(26)25-22(23-18)28-15-20(27)24-21(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-14,21H,2,9,15H2,1H3,(H,24,27)(H,23,25,26)/p-1