N4-[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C26H21BrN4S MolecularWeight: 501.44074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H21BrN4S/c1-2-22-23(17-8-10-18(27)11-9-17)24-25(28-16-29-26(24)32-22)31-21-14-12-20(13-15-21)30-19-6-4-3-5-7-19/h3-16,30H,2H2,1H3,(H,28,29,31)