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

Systemtic Name: 4-[3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C14H14N3O4S- MolecularWeight: 320.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H15N3O4S/c15-11-8-12(18)17-14(16-11)22-7-1-6-21-10-4-2-9(3-5-10)13(19)20/h2-5,8H,1,6-7H2,(H,19,20)(H3,15,16,17,18)/p-1