5,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C20H24N4OS/c1-15-16(2)26-20-18(15)19(21-14-22-20)24-10-8-23(9-11-24)12-13-25-17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3/p+1