2-[[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-chloranyl-6-ethoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-chloranyl-6-ethoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-thioxo-pyrimidin-5-yl)methyl]-2-chloro-6-ethoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-2-chloro-6-ethoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-2-chloro-6-ethoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[bis(4-hydroxy-6-keto-1,3-dimethyl-2-thioxo-pyrimidin-5-yl)methyl]-2-chloro-6-ethoxy-phenoxy]methyl]benzonitrile Formula: C29H28ClN5O6S2 MolecularWeight: 642.14552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(N(C(=S)N(C2=O)C)C)O)C3=C(N(C(=S)N(C3=O)C)C)O)Cl)OCC4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(N(C(=S)N(C2=O)C)C)O)C3=C(N(C(=S)N(C3=O)C)C)O)Cl)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C29H28ClN5O6S2/c1-6-40-19-12-17(11-18(30)23(19)41-14-16-10-8-7-9-15(16)13-31)20(21-24(36)32(2)28(42)33(3)25(21)37)22-26(38)34(4)29(43)35(5)27(22)39/h7-12,20,36,38H,6,14H2,1-5H3