2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-pentyl-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-pentyl-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(dipropylammonio)ethylsulfanyl]-6-oxo-5-pentyl-3-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(dipropylammonio)ethylthio]-6-oxo-5-pentyl-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxo-5-pentyl-3-phenylpyrimidin-4-olate Traditional Name: 5-amyl-2-[2-(dipropylammonio)ethylthio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C23H35N3O2S/c1-4-7-9-14-20-21(27)24-23(29-18-17-25(15-5-2)16-6-3)26(22(20)28)19-12-10-8-11-13-19/h8,10-13,28H,4-7,9,14-18H2,1-3H3