5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)-N-(p-tolylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H26N4OS/c1-14-4-6-17(7-5-14)12-22-20-19-15(2)16(3)27-21(19)24-18(23-20)13-25-8-10-26-11-9-25/h4-7H,8-13H2,1-3H3,(H,22,23,24)/p+1