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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-15-8-10-18(11-9-15)13-23-20(26)14-28-22-24-16(2)19(21(27)25-22)12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,23,26)(H,24,25,27)/p-1