4-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol CAS Name: 4-[[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]amino]phenol IUPAC Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NC5=CC=C(C=C5)O

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NC5=CC=C(C=C5)O

InChI

InChI=1S/C23H22N4O2S/c28-18-8-6-17(7-9-18)24-22-21-19(16-4-2-1-3-5-16)15-30-23(21)26-20(25-22)14-27-10-12-29-13-11-27/h1-9,15,28H,10-14H2,(H,24,25,26)/p+1