N1-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-N4,N4-diethyl-benzene-1,4-diamine

Systemtic Name: N1-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-N4,N4-diethyl-benzene-1,4-diamine Openeye Name: N1-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-N4,N4-diethyl-benzene-1,4-diamine CAS Name: N1-[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]-N4,N4-diethylbenzene-1,4-diamine IUPAC Name: 1-N-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine Traditional Name: [4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-diethyl-amine Formula: C22H21BrN4S MolecularWeight: 453.39794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4S/c1-3-27(4-2)18-11-9-17(10-12-18)26-21-20-19(13-28-22(20)25-14-24-21)15-5-7-16(23)8-6-15/h5-14H,3-4H2,1-2H3,(H,24,25,26)