2,5-dimethyl-N-(4-phenoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2,5-dimethyl-N-(4-phenoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-N-(4-phenoxyphenyl)-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-N-(4-phenoxyphenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-phenoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-N-(4-phenoxyphenyl)-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C30H28N6O2S MolecularWeight: 536.64732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C30H28N6O2S/c1-20-26-28(36-18-16-35(17-19-36)25-10-6-7-15-31-25)32-21(2)33-30(26)39-27(20)29(37)34-22-11-13-24(14-12-22)38-23-8-4-3-5-9-23/h3-15H,16-19H2,1-2H3,(H,34,37)