1-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-phenylazanyl-ethanone

Systemtic Name: 1-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-phenylazanyl-ethanone Openeye Name: 2-anilino-1-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]ethanone CAS Name: 2-anilino-1-[4-[4-[(2,4-dichlorophenyl)methylamino]-2-thieno[3,2-d]pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-anilino-1-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-anilino-1-[4-[4-[(2,4-dichlorobenzyl)amino]thieno[3,2-d]pyrimidin-2-yl]piperazino]ethanone Formula: C25H24Cl2N6OS MolecularWeight: 527.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=C(C=C(C=C4)Cl)Cl)SC=C3)C(=O)CNC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=C(C=C(C=C4)Cl)Cl)SC=C3)C(=O)CNC5=CC=CC=C5

InChI

InChI=1S/C25H24Cl2N6OS/c26-18-7-6-17(20(27)14-18)15-29-24-23-21(8-13-35-23)30-25(31-24)33-11-9-32(10-12-33)22(34)16-28-19-4-2-1-3-5-19/h1-8,13-14,28H,9-12,15-16H2,(H,29,30,31)