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

Systemtic Name: N-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-cyclohexyl-5-phenyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: cyclohexyl-[5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C24H31N4S+ MolecularWeight: 407.59474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N4S/c1-4-10-18(11-5-1)20-17-29-24-22(20)23(25-19-12-6-2-7-13-19)26-21(27-24)16-28-14-8-3-9-15-28/h1,4-5,10-11,17,19H,2-3,6-9,12-16H2,(H,25,26,27)/p+1