2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2)\Cl

InChI

InChI=1S/C25H23ClN2O2S/c1-3-4-14-30-19-12-10-17(11-13-19)15-20(26)23-27-24(29)22-21(16(2)31-25(22)28-23)18-8-6-5-7-9-18/h5-13,15H,3-4,14H2,1-2H3,(H,27,28,29)/b20-15-