6-(3-methylphenyl)sulfanyl-1-(3-oxidanylpropoxy)-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 6-(3-methylphenyl)sulfanyl-1-(3-oxidanylpropoxy)-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-(3-hydroxypropoxy)-5-isopropyl-6-(m-tolylsulfanyl)pyrimidine-2,4-dione CAS Name: 1-(3-hydroxypropoxy)-6-[(3-methylphenyl)thio]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-(3-hydroxypropoxy)-6-(3-methylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-(3-hydroxypropoxy)-5-isopropyl-6-(m-tolylthio)pyrimidine-2,4-quinone Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(C(=O)NC(=O)N2OCCCO)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C(=O)NC(=O)N2OCCCO)C(C)C

InChI

InChI=1S/C17H22N2O4S/c1-11(2)14-15(21)18-17(22)19(23-9-5-8-20)16(14)24-13-7-4-6-12(3)10-13/h4,6-7,10-11,20H,5,8-9H2,1-3H3,(H,18,21,22)