6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[(3-methoxyphenyl)methylthio]-3-methyl-4-pyrimidinone IUPAC Name: 6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one Traditional Name: 6-tert-butyl-2-(m-anisylthio)-3-methyl-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=CC=C2)OC)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=CC=C2)OC)C

InChI

InChI=1S/C17H22N2O2S/c1-17(2,3)14-10-15(20)19(4)16(18-14)22-11-12-7-6-8-13(9-12)21-5/h6-10H,11H2,1-5H3