3-(2,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2,5-dimethylphenyl)-6-phenyl-2-(tetrahydropyran-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-(2-oxanylmethylthio)-6-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)-6-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-6-phenyl-2-(tetrahydropyran-2-ylmethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC5CCCCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC5CCCCO5

InChI

InChI=1S/C26H26N2O2S2/c1-17-11-12-18(2)22(14-17)28-25(29)24-21(15-23(32-24)19-8-4-3-5-9-19)27-26(28)31-16-20-10-6-7-13-30-20/h3-5,8-9,11-12,14-15,20H,6-7,10,13,16H2,1-2H3