6-methyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-methyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-16-19(14-18-10-6-3-7-11-18)21(27)25-22(24-16)28-15-20(26)23-13-12-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,23,26)(H,24,25,27)/p-1