N4-cyclopropyl-N2-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[3-fluoro-4-(4-methylsulfonyl-1-piperazinyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[3-fluoro-4-(4-mesylpiperazino)anilino]thieno[3,2-d]pyrimidin-4-yl]amine Formula: C20H23FN6O2S2 MolecularWeight: 462.564023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C(=N3)NC5CC5)SC=C4)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C(=N3)NC5CC5)SC=C4)F

InChI

InChI=1S/C20H23FN6O2S2/c1-31(28,29)27-9-7-26(8-10-27)17-5-4-14(12-15(17)21)23-20-24-16-6-11-30-18(16)19(25-20)22-13-2-3-13/h4-6,11-13H,2-3,7-10H2,1H3,(H2,22,23,24,25)