2-[[4-[(2,4-dimethylphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[(2,4-dimethylphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[4-[(2,4-dimethylphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[(2,4-dimethylanilino)-oxomethyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[4-[(2,4-dimethylphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-[(2,4-dimethylphenyl)carbamoyl]benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H24N3O2S- MolecularWeight: 406.52056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)[O-]

InChI

InChI=1S/C23H25N3O2S/c1-4-5-19-13-21(27)26-23(24-19)29-14-17-7-9-18(10-8-17)22(28)25-20-11-6-15(2)12-16(20)3/h6-13H,4-5,14H2,1-3H3,(H,25,28)(H,24,26,27)/p-1