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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Formula: C17H18FN4S+ MolecularWeight: 329.415023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H17FN4S/c18-13-4-2-12(3-5-13)14-10-23-17-15(14)16(20-11-21-17)22-8-1-6-19-7-9-22/h2-5,10-11,19H,1,6-9H2/p+1