N-(4-ethoxyphenyl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(4-ethoxyphenyl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(4-ethoxyphenyl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(4-ethoxyphenyl)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(4-ethoxyphenyl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-p-phenetyl-amine Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

InChI

InChI=1S/C21H26N4OS/c1-4-26-17-9-7-16(8-10-17)22-20-19-14(2)15(3)27-21(19)24-18(23-20)13-25-11-5-6-12-25/h7-10H,4-6,11-13H2,1-3H3,(H,22,23,24)/p+1