5-ethyl-2-(3-methoxyphenyl)sulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-2-(3-methoxyphenyl)sulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3-allyloxyphenyl)methyl]-5-ethyl-2-(3-methoxyphenyl)sulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-[(3-methoxyphenyl)thio]-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-2-(3-methoxyphenyl)sulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-allyloxybenzyl)-5-ethyl-2-[(3-methoxyphenyl)thio]-1H-pyrimidin-4-one Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2=CC=CC(=C2)OC)CC3=CC(=CC=C3)OCC=C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2=CC=CC(=C2)OC)CC3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C23H24N2O3S/c1-4-12-28-18-10-6-8-16(13-18)14-21-20(5-2)22(26)25-23(24-21)29-19-11-7-9-17(15-19)27-3/h4,6-11,13,15H,1,5,12,14H2,2-3H3,(H,24,25,26)