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

Systemtic Name: N4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)NC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)NC5=CC=CC=C5)OC

InChI

InChI=1S/C26H22N4O2S/c1-31-22-13-8-17(14-23(22)32-2)21-15-33-26-24(21)25(27-16-28-26)30-20-11-9-19(10-12-20)29-18-6-4-3-5-7-18/h3-16,29H,1-2H3,(H,27,28,30)