2-[2-(diethylazaniumyl)ethylsulfanyl]-5-(diphenylmethyl)-3-ethanoyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-(diphenylmethyl)-3-ethanoyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-acetyl-5-benzhydryl-2-[2-(diethylammonio)ethylsulfanyl]-6-oxo-pyrimidin-4-olate CAS Name: 3-acetyl-2-[2-(diethylammonio)ethylthio]-5-(diphenylmethyl)-6-oxo-4-pyrimidinolate IUPAC Name: 3-acetyl-5-benzhydryl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxopyrimidin-4-olate Traditional Name: 3-acetyl-5-benzhydryl-2-[2-(diethylammonio)ethylthio]-6-keto-pyrimidin-4-olate Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C(=O)C)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C(=O)C)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3S/c1-4-27(5-2)16-17-32-25-26-23(30)22(24(31)28(25)18(3)29)21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21,31H,4-5,16-17H2,1-3H3