1-[2-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-oxo-ethyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[4-[4-[(2,4-dichlorophenyl)methylamino]-2-thieno[3,2-d]pyrimidinyl]-1-piperazinyl]-2-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[4-[4-[(2,4-dichlorophenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[4-[4-[(2,4-dichlorobenzyl)amino]thieno[3,2-d]pyrimidin-2-yl]piperazino]-2-keto-ethyl]pyrrolidine-2-carbonitrile Formula: C24H25Cl2N7OS MolecularWeight: 530.4726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=C(C=C(C=C5)Cl)Cl)SC=C4)C#N

Isomeric SMILES

C1CC(N(C1)CC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=C(C=C(C=C5)Cl)Cl)SC=C4)C#N

InChI

InChI=1S/C24H25Cl2N7OS/c25-17-4-3-16(19(26)12-17)14-28-23-22-20(5-11-35-22)29-24(30-23)32-9-7-31(8-10-32)21(34)15-33-6-1-2-18(33)13-27/h3-5,11-12,18H,1-2,6-10,14-15H2,(H,28,29,30)