2-(morpholin-4-ium-4-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(4-morpholin-4-iumylmethyl)-N-[(1-phenyl-4-pyrazolyl)methyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C25H25N6OS2+ MolecularWeight: 489.6356

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCC5=CN(N=C5)C6=CC=CC=C6

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCC5=CN(N=C5)C6=CC=CC=C6

InChI

InChI=1S/C25H24N6OS2/c1-2-5-19(6-3-1)31-15-18(14-27-31)13-26-24-23-20(21-7-4-12-33-21)17-34-25(23)29-22(28-24)16-30-8-10-32-11-9-30/h1-7,12,14-15,17H,8-11,13,16H2,(H,26,28,29)/p+1