4-[[4-(benzotriazol-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(benzotriazol-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(benzotriazol-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1-benzotriazolyl)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(benzotriazol-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(benzotriazol-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C21H19N6OS2+ MolecularWeight: 435.54516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C21H18N6OS2/c1-2-5-16-15(4-1)24-25-27(16)20-19-14(17-6-3-11-29-17)13-30-21(19)23-18(22-20)12-26-7-9-28-10-8-26/h1-6,11,13H,7-10,12H2/p+1