4-[(4-phenoxy-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(4-phenoxy-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Openeye Name: 4-[[4-phenoxy-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[(4-phenoxy-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)methyl]morpholin-4-ium IUPAC Name: 4-[(4-phenoxy-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Traditional Name: 4-[[4-phenoxy-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C21H20N3O2S2+ MolecularWeight: 410.5324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC=C5

InChI

InChI=1S/C21H19N3O2S2/c1-2-5-15(6-3-1)26-20-19-16(17-7-4-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-25-11-9-24/h1-7,12,14H,8-11,13H2/p+1