2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propyl-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(dipropylammonio)ethylsulfanyl]-6-oxo-5-propyl-1H-pyrimidin-4-olate CAS Name: 2-[2-(dipropylammonio)ethylthio]-6-oxo-5-propyl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(dipropylazaniumyl)ethylsulfanyl]-6-oxo-5-propyl-1H-pyrimidin-4-olate Traditional Name: 2-[2-(dipropylammonio)ethylthio]-6-keto-5-propyl-1H-pyrimidin-4-olate Formula: C15H27N3O2S MolecularWeight: 313.45878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)[O-]

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)[O-]

InChI

InChI=1S/C15H27N3O2S/c1-4-7-12-13(19)16-15(17-14(12)20)21-11-10-18(8-5-2)9-6-3/h4-11H2,1-3H3,(H2,16,17,19,20)