3-[[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]amino]propane-1,2-diol Openeye Name: 3-[[5-phenyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidin-2-yl]amino]propane-1,2-diol CAS Name: 3-[[5-phenyl-4-(2-pyridinylmethylamino)-2-thieno[2,3-d]pyrimidinyl]amino]propane-1,2-diol IUPAC Name: 3-[[5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]amino]propane-1,2-diol Traditional Name: 3-[[5-phenyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidin-2-yl]amino]propane-1,2-diol Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NCC4=CC=CC=N4)NCC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NCC4=CC=CC=N4)NCC(CO)O

InChI

InChI=1S/C21H21N5O2S/c27-12-16(28)11-24-21-25-19(23-10-15-8-4-5-9-22-15)18-17(13-29-20(18)26-21)14-6-2-1-3-7-14/h1-9,13,16,27-28H,10-12H2,(H2,23,24,25,26)