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

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(4-chlorophenoxy)butylthio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(4-chlorophenoxy)butylthio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCCCCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCCCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H19ClN2O2S2/c1-11-12(2)25-17-15(11)16(22)20-18(21-17)24-10-4-3-9-23-14-7-5-13(19)6-8-14/h5-8H,3-4,9-10H2,1-2H3,(H,20,21,22)