4-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-N-(3-methoxyphenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C21H25N5O2S/c1-4-25-8-10-26(11-9-25)19-17-14(2)18(29-21(17)23-13-22-19)20(27)24-15-6-5-7-16(12-15)28-3/h5-7,12-13H,4,8-11H2,1-3H3,(H,24,27)/p+1