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

Systemtic Name: N-(2,4-dimethylphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-2,5-dimethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H29N6OS+ MolecularWeight: 473.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

InChI

InChI=1S/C26H28N6OS/c1-16-8-9-20(17(2)15-16)30-25(33)23-18(3)22-24(28-19(4)29-26(22)34-23)32-13-11-31(12-14-32)21-7-5-6-10-27-21/h5-10,15H,11-14H2,1-4H3,(H,30,33)/p+1