4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-ethoxyphenoxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-25-16-7-9-17(10-8-16)26-20-19-14(2)15(3)27-21(19)23-18(22-20)13-24-11-5-6-12-24/h7-10H,4-6,11-13H2,1-3H3/p+1