2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-2-[(2,4-dimethylbenzyl)thio]-6-keto-1H-pyrimidin-4-olate Formula: C20H19N2O2S- MolecularWeight: 351.44206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-13-8-9-16(14(2)10-13)12-25-20-21-18(23)17(19(24)22-20)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,21,22,23,24)/p-1