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

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-propan-2-yl-pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-isopropyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-propan-2-yl-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-propan-2-ylpyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-isopropyl-pyrimidin-4-olate Formula: C14H16N3OS- MolecularWeight: 274.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)N)[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)N)[O-]

InChI

InChI=1S/C14H17N3OS/c1-9(2)12-7-13(18)17-14(16-12)19-8-10-3-5-11(15)6-4-10/h3-7,9H,8,15H2,1-2H3,(H,16,17,18)/p-1