5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(4-isobutoxyphenyl)methyl]-1-phenyl-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenyl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-(4-isobutoxybenzyl)-1-phenyl-2-thioxo-pyrimidine-4,6-diolate Formula: C21H20N2O3S-2 MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N(C(=S)N=C2[O-])C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N(C(=S)N=C2[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)/p-2