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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25ClN5O2S+ MolecularWeight: 446.9735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2S/c1-12-17-19(27-9-7-26(3)8-10-27)23-13(2)24-21(17)30-18(12)20(28)25-15-11-14(22)5-6-16(15)29-4/h5-6,11H,7-10H2,1-4H3,(H,25,28)/p+1