2-[4-(4-chloranylphenoxy)butylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(4-chlorophenoxy)butylthio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(4-chlorophenoxy)butylthio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21ClN2O2S2 MolecularWeight: 457.00804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCCCCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCCCCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O2S2/c1-15-19(16-7-3-2-4-8-16)20-21(27)25-23(26-22(20)30-15)29-14-6-5-13-28-18-11-9-17(24)10-12-18/h2-4,7-12H,5-6,13-14H2,1H3,(H,25,26,27)