4-[3-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(6-butyl-4-keto-1H-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C18H21N2O4S- MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4S/c1-2-3-5-14-12-16(21)20-18(19-14)25-11-4-10-24-15-8-6-13(7-9-15)17(22)23/h6-9,12H,2-5,10-11H2,1H3,(H,22,23)(H,19,20,21)/p-1