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

Systemtic Name: 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(ethoxymethyl)-5-[(4-isobutoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(ethoxymethyl)-5-(4-isobutoxybenzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C18H24N2O3S/c1-4-22-11-16-15(17(21)20-18(24)19-16)9-13-5-7-14(8-6-13)23-10-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,19,20,21,24)