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

Systemtic Name: N-methyl-5-phenyl-N-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-methyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-5-phenyl-N-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-N-methyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-methyl-[5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C26H29N4S+ MolecularWeight: 429.60026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4S/c1-29(17-20-11-5-2-6-12-20)25-24-22(21-13-7-3-8-14-21)19-31-26(24)28-23(27-25)18-30-15-9-4-10-16-30/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3/p+1