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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C22H27N5O3S/c1-13-18-20(27-8-6-26(3)7-9-27)23-14(2)24-22(18)31-19(13)21(28)25-15-10-16(29-4)12-17(11-15)30-5/h10-12H,6-9H2,1-5H3,(H,25,28)/p+1