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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethoxyphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethoxyphenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethoxyphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4)OC

InChI

InChI=1S/C18H20N4O2S/c1-23-14-4-3-12(9-15(14)24-2)13-10-25-18-16(13)17(20-11-21-18)22-7-5-19-6-8-22/h3-4,9-11,19H,5-8H2,1-2H3/p+1