2-[(2S)-butan-2-yl]sulfanyl-3-(4-methylphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-methylphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(1S)-1-methylpropyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-(4-methylphenyl)-6-oxo-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[(2S)-butan-2-yl]sulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[[(1S)-1-methylpropyl]thio]-3-(p-tolyl)pyrimidin-4-olate Formula: C22H23N2O2S- MolecularWeight: 379.49522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1C2=CC=C(C=C2)C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C(=C(N1C2=CC=C(C=C2)C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-4-16(3)27-22-23-20(25)19(14-17-8-6-5-7-9-17)21(26)24(22)18-12-10-15(2)11-13-18/h5-13,16,26H,4,14H2,1-3H3/p-1/t16-/m0/s1