2-(1,3-dioxolan-2-ylmethylsulfanyl)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-dioxolan-2-ylmethylsulfanyl)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-5-isopropyl-1H-pyrimidin-4-one CAS Name: 2-(1,3-dioxolan-2-ylmethylthio)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-(1,3-dioxolan-2-ylmethylthio)-5-isopropyl-1H-pyrimidin-4-one Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SCC2OCCO2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCC2OCCO2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-12(2)16-14(10-13-6-4-3-5-7-13)19-18(20-17(16)21)24-11-15-22-8-9-23-15/h3-7,12,15H,8-11H2,1-2H3,(H,19,20,21)