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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-(p-tolylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c1-18-7-9-19(10-8-18)15-26-24-23-21(20-5-3-2-4-6-20)17-31-25(23)28-22(27-24)16-29-11-13-30-14-12-29/h2-10,17H,11-16H2,1H3,(H,26,27,28)/p+1