2-[(2S)-butan-2-yl]sulfanyl-1-(4-methylphenyl)-6-oxidanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-1-(4-methylphenyl)-6-oxidanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-6-hydroxy-2-[(1S)-1-methylpropyl]sulfanyl-1-(p-tolyl)pyrimidin-4-one CAS Name: 2-[[(2S)-butan-2-yl]thio]-6-hydroxy-1-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[(2S)-butan-2-yl]sulfanyl-6-hydroxy-1-(4-methylphenyl)pyrimidin-4-one Traditional Name: 5-benzyl-6-hydroxy-2-[[(1S)-1-methylpropyl]thio]-1-(p-tolyl)pyrimidin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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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/t16-/m0/s1