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

Systemtic Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-N-(3-nitrophenyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H23N6O3S+ MolecularWeight: 427.50002

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3S/c1-12-16-18(25-9-7-24(3)8-10-25)21-13(2)22-20(16)30-17(12)19(27)23-14-5-4-6-15(11-14)26(28)29/h4-6,11H,7-10H2,1-3H3,(H,23,27)/p+1