2-[2-(diethylazaniumyl)ethylsulfanyl]-5-(diphenylmethyl)-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-(diphenylmethyl)-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-benzhydryl-2-[2-(diethylammonio)ethylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-5-(diphenylmethyl)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-benzhydryl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzhydryl-2-[2-(diethylammonio)ethylthio]-6-keto-1H-pyrimidin-4-olate Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H27N3O2S/c1-3-26(4-2)15-16-29-23-24-21(27)20(22(28)25-23)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H2,24,25,27,28)