5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25N5O2S/c1-16-26-23(29-12-10-28(11-13-29)21-6-4-5-9-25-21)22-18(15-32-24(22)27-16)17-7-8-19(30-2)20(14-17)31-3/h4-9,14-15H,10-13H2,1-3H3/p+1