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

Systemtic Name: 4-[[4-(3-methylphenoxy)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(3-methylphenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(3-methylphenoxy)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(3-methylphenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(3-methylphenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C22H22N3O2S2+ MolecularWeight: 424.55898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C22H21N3O2S2/c1-15-4-2-5-16(12-15)27-21-20-17(18-6-3-11-28-18)14-29-22(20)24-19(23-21)13-25-7-9-26-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3/p+1