4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidine Formula: C19H22FN4S+ MolecularWeight: 357.468183

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN4S/c1-3-23-8-10-24(11-9-23)18-17-16(14-4-6-15(20)7-5-14)13(2)25-19(17)22-12-21-18/h4-7,12H,3,8-11H2,1-2H3/p+1