2-methyl-5-phenyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 2-methyl-5-phenyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-5-phenyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 2-methyl-5-phenyl-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-5-phenyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 2-methyl-5-phenyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C23H24N5S+ MolecularWeight: 402.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C23H23N5S/c1-17-25-22(21-20(16-29-23(21)26-17)19-5-3-2-4-6-19)28-13-11-27(12-14-28)15-18-7-9-24-10-8-18/h2-10,16H,11-15H2,1H3/p+1