4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C18H20FN4OS+ MolecularWeight: 359.441003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H19FN4OS/c1-24-16-3-2-14(19)10-13(16)11-22-5-7-23(8-6-22)17-15-4-9-25-18(15)21-12-20-17/h2-4,9-10,12H,5-8,11H2,1H3/p+1