4-[(5-phenyl-4-pyridin-3-yloxy-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(5-phenyl-4-pyridin-3-yloxy-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Openeye Name: 4-[[5-phenyl-4-(3-pyridyloxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-phenyl-4-(3-pyridinyloxy)-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[(5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Traditional Name: 4-[[5-phenyl-4-(3-pyridyloxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CN=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CN=CC=C5

InChI

InChI=1S/C22H20N4O2S/c1-2-5-16(6-3-1)18-15-29-22-20(18)21(28-17-7-4-8-23-13-17)24-19(25-22)14-26-9-11-27-12-10-26/h1-8,13,15H,9-12,14H2/p+1