3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[4-morpholino-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol; 2,2,2-trifluoroacetic acid CAS Name: 3-[4-(4-morpholinyl)-6-(1-piperazinylmethyl)-2-thieno[3,2-d]pyrimidinyl]phenol; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol; 2,2,2-trifluoroacetic acid Traditional Name: 3-[4-morpholino-6-(piperazinomethyl)thieno[3,2-d]pyrimidin-2-yl]phenol; 2,2,2-trifluoroacetic acid Formula: C23H26F3N5O4S MolecularWeight: 525.54385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC(=CC=C4)O)N5CCOCC5.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC(=CC=C4)O)N5CCOCC5.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H25N5O2S.C2HF3O2/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;3-2(4,5)1(6)7/h1-3,12-13,22,27H,4-11,14H2;(H,6,7)