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

Systemtic Name: N-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-ethyl-5-phenyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: ethyl-[5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=CSC2=NC(=N1)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=C2C(=CSC2=NC(=N1)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4S/c1-2-21-19-18-16(15-9-5-3-6-10-15)14-25-20(18)23-17(22-19)13-24-11-7-4-8-12-24/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,22,23)/p+1