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

Systemtic Name: N-(2-ethoxyphenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-ethoxyphenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-ethoxyphenyl)-5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-ethoxyphenyl)-5,6-dimethyl-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]-o-phenetyl-amine Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H26N4O2S/c1-4-27-17-8-6-5-7-16(17)22-20-19-14(2)15(3)28-21(19)24-18(23-20)13-25-9-11-26-12-10-25/h5-8H,4,9-13H2,1-3H3,(H,22,23,24)/p+1