2-(4-aminophenyl)sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(4-aminophenyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(4-aminophenyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(4-aminophenyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-aminophenyl)thio]-6-propyl-pyrimidin-4-olate Formula: C13H14N3OS- MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC2=CC=C(C=C2)N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC2=CC=C(C=C2)N)[O-]

InChI

InChI=1S/C13H15N3OS/c1-2-3-10-8-12(17)16-13(15-10)18-11-6-4-9(14)5-7-11/h4-8H,2-3,14H2,1H3,(H,15,16,17)/p-1