5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(4-isobutoxyphenyl)methyl]-1-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-(4-isobutoxybenzyl)-1-phenyl-2-thioxo-pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N(C(=S)NC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N(C(=S)NC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O3S/c1-14(2)13-26-17-10-8-15(9-11-17)12-18-19(24)22-21(27)23(20(18)25)16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,22,24,27)