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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-phenyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C27H27N6OS+ MolecularWeight: 483.60788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6OS/c1-3-7-21(8-4-1)23-19-35-27-25(23)26(30-24(31-27)18-32-11-13-34-14-12-32)28-15-20-16-29-33(17-20)22-9-5-2-6-10-22/h1-10,16-17,19H,11-15,18H2,(H,28,30,31)/p+1