6-methyl-2-(4-phenoxybutylsulfanyl)-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-2-(4-phenoxybutylsulfanyl)-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-(4-phenoxybutylsulfanyl)-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-(4-phenoxybutylthio)-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-2-(4-phenoxybutylsulfanyl)-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-(4-phenoxybutylthio)-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C29H26N2O2S2 MolecularWeight: 498.65894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N2O2S2/c1-21-25(22-13-5-2-6-14-22)26-27(35-21)30-29(31(28(26)32)23-15-7-3-8-16-23)34-20-12-11-19-33-24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3