5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylthio]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-[2-(3-methylphenoxy)ethylthio]thieno[2,3-d]pyrimidine Formula: C21H17BrN2OS2 MolecularWeight: 457.40648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2OS2/c1-14-3-2-4-17(11-14)25-9-10-26-20-19-18(12-27-21(19)24-13-23-20)15-5-7-16(22)8-6-15/h2-8,11-13H,9-10H2,1H3