6-methyl-5-pentyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-pentyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-pentyl-pyrimidin-4-olate CAS Name: 6-methyl-5-pentyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-pentylpyrimidin-4-olate Traditional Name: 5-amyl-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C17H21N2OS- MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2OS/c1-3-4-6-11-15-13(2)18-17(19-16(15)20)21-12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3,(H,18,19,20)/p-1