2-[(4-aminophenyl)methylsulfanyl]-6-butyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-butyl-pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-butyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-butyl-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-butylpyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-butyl-pyrimidin-4-olate Formula: C15H18N3OS- MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)N)[O-]

Isomeric SMILES

CCCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)N)[O-]

InChI

InChI=1S/C15H19N3OS/c1-2-3-4-13-9-14(19)18-15(17-13)20-10-11-5-7-12(16)8-6-11/h5-9H,2-4,10,16H2,1H3,(H,17,18,19)/p-1