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

Systemtic Name: N-cyclohexyl-N-methyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-cyclohexyl-N-methyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-cyclohexyl-N-methyl-5-phenyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-cyclohexyl-N-methyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: cyclohexyl-methyl-[5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C25H33N4S+ MolecularWeight: 421.62132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H32N4S/c1-28(20-13-7-3-8-14-20)24-23-21(19-11-5-2-6-12-19)18-30-25(23)27-22(26-24)17-29-15-9-4-10-16-29/h2,5-6,11-12,18,20H,3-4,7-10,13-17H2,1H3/p+1