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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-o-anisyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C22H27N5O2S/c1-14-18-20(27-11-9-26(3)10-12-27)24-15(2)25-22(18)30-19(14)21(28)23-13-16-7-5-6-8-17(16)29-4/h5-8H,9-13H2,1-4H3,(H,23,28)/p+1