2-(2-methylpropylsulfanyl)-4-oxidanyl-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-(2-methylpropylsulfanyl)-4-oxidanyl-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(4-allyloxyphenyl)methyl]-4-hydroxy-2-isobutylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-(2-methylpropylthio)-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-(2-methylpropylsulfanyl)-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-allyloxybenzyl)-4-hydroxy-2-(isobutylthio)-1H-pyrimidin-6-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)OCC=C)O

Isomeric SMILES

CC(C)CSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)OCC=C)O

InChI

InChI=1S/C18H22N2O3S/c1-4-9-23-14-7-5-13(6-8-14)10-15-16(21)19-18(20-17(15)22)24-11-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H2,19,20,21,22)