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

Systemtic Name: 6-methyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-[4-(2-methylphenoxy)butylthio]-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[4-(2-methylphenoxy)butylthio]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C30H28N2O2S2 MolecularWeight: 512.68552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O2S2/c1-21-13-9-10-18-25(21)34-19-11-12-20-35-30-31-28-27(29(33)32(30)24-16-7-4-8-17-24)26(22(2)36-28)23-14-5-3-6-15-23/h3-10,13-18H,11-12,19-20H2,1-2H3