4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-5-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-chloro-6-fluoro-benzyl)piperazino]-5-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C21H18ClFN4S2 MolecularWeight: 444.975823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=C4C(=CSC4=NC=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=C4C(=CSC4=NC=N3)C5=CC=CS5

InChI

InChI=1S/C21H18ClFN4S2/c22-16-3-1-4-17(23)14(16)11-26-6-8-27(9-7-26)20-19-15(18-5-2-10-28-18)12-29-21(19)25-13-24-20/h1-5,10,12-13H,6-9,11H2