5-ethyl-6-[[3-[(5-ethyl-6-propan-2-yloxy-2-propan-2-ylsulfanyl-pyrimidin-4-yl)methyl]phenyl]methyl]-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-[[3-[(5-ethyl-6-propan-2-yloxy-2-propan-2-ylsulfanyl-pyrimidin-4-yl)methyl]phenyl]methyl]-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-[[3-[(5-ethyl-6-isopropoxy-2-isopropylsulfanyl-pyrimidin-4-yl)methyl]phenyl]methyl]-2-isopropylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-[[3-[[5-ethyl-6-propan-2-yloxy-2-(propan-2-ylthio)-4-pyrimidinyl]methyl]phenyl]methyl]-2-(propan-2-ylthio)-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-[[3-[(5-ethyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidin-4-yl)methyl]phenyl]methyl]-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-[3-[[5-ethyl-6-isopropoxy-2-(isopropylthio)pyrimidin-4-yl]methyl]benzyl]-2-(isopropylthio)-1H-pyrimidin-4-one Formula: C29H40N4O2S2 MolecularWeight: 540.7835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)C)CC2=CC=CC(=C2)CC3=C(C(=NC(=N3)SC(C)C)OC(C)C)CC

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)C)CC2=CC=CC(=C2)CC3=C(C(=NC(=N3)SC(C)C)OC(C)C)CC

InChI

InChI=1S/C29H40N4O2S2/c1-9-22-24(30-28(32-26(22)34)36-18(5)6)15-20-12-11-13-21(14-20)16-25-23(10-2)27(35-17(3)4)33-29(31-25)37-19(7)8/h11-14,17-19H,9-10,15-16H2,1-8H3,(H,30,32,34)