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

Systemtic Name: N-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-2-(4-morpholin-4-iumylmethyl)-5-phenyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-N-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-methyl-[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:

CN(CC1=CC=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

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