2-(2,2-diethoxyethylsulfanyl)-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-(2,2-diethoxyethylsulfanyl)-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Openeye Name: 2-(2,2-diethoxyethylsulfanyl)-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 2-(2,2-diethoxyethylthio)-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-(2,2-diethoxyethylsulfanyl)-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 2-(2,2-diethoxyethylthio)-6-(3,5-dimethylbenzyl)-5-ethyl-1H-pyrimidin-4-one Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(OCC)OCC)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(OCC)OCC)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H30N2O3S/c1-6-17-18(12-16-10-14(4)9-15(5)11-16)22-21(23-20(17)24)27-13-19(25-7-2)26-8-3/h9-11,19H,6-8,12-13H2,1-5H3,(H,22,23,24)