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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H26ClN6O2S+ MolecularWeight: 510.03094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C(=O)NC5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C(=O)NC5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C25H25ClN6O2S/c1-15-21-23(32-12-10-31(11-13-32)20-6-4-5-9-27-20)28-16(2)29-25(21)35-22(15)24(33)30-17-7-8-19(34-3)18(26)14-17/h4-9,14H,10-13H2,1-3H3,(H,30,33)/p+1