5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidin-4-one Formula: C28H21ClN2O3S2 MolecularWeight: 533.06094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21ClN2O3S2/c1-17-24(19-8-10-20(29)11-9-19)25-26(36-17)30-28(35-16-23(32)18-6-4-3-5-7-18)31(27(25)33)21-12-14-22(34-2)15-13-21/h3-15H,16H2,1-2H3