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

Systemtic Name: N4-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C26H22N4S MolecularWeight: 422.54468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)NC5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4S/c1-17-8-9-19(14-18(17)2)23-15-31-26-24(23)25(27-16-28-26)30-22-12-10-21(11-13-22)29-20-6-4-3-5-7-20/h3-16,29H,1-2H3,(H,27,28,30)