sodium 6-methyl-5-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: sodium 6-methyl-5-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: sodium 5-benzyl-2-benzylsulfanyl-6-methyl-pyrimidin-4-olate CAS Name: sodium 6-methyl-5-(phenylmethyl)-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: sodium 5-benzyl-2-benzylsulfanyl-6-methylpyrimidin-4-olate Traditional Name: sodium 5-benzyl-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C19H17N2NaOS MolecularWeight: 344.40585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H18N2OS.Na/c1-14-17(12-15-8-4-2-5-9-15)18(22)21-19(20-14)23-13-16-10-6-3-7-11-16;/h2-11H,12-13H2,1H3,(H,20,21,22);/q;+1/p-1