6-methyl-5-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[2-(4-isopropylanilino)-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(2-cumidino-2-keto-ethyl)-6-methyl-pyrimidin-4-olate Formula: C23H24N3O2S- MolecularWeight: 406.52056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H25N3O2S/c1-15(2)18-9-11-19(12-10-18)25-21(27)13-20-16(3)24-23(26-22(20)28)29-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,27)(H,24,26,28)/p-1