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

Systemtic Name: 2,5,6-trimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 2,5,6-trimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 2,5,6-trimethyl-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 2,5,6-trimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 2,5,6-trimethyl-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-15-16(2)27-21-19(15)20(22-17(3)23-21)25-11-9-24(10-12-25)13-14-26-18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3/p+1