5-[(3-fluoranylthiophen-2-yl)methyl]-7-piperidin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride

Systemtic Name: 5-[(3-fluoranylthiophen-2-yl)methyl]-7-piperidin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Openeye Name: 5-[(3-fluoro-2-thienyl)methyl]-7-(4-piperidyl)pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride CAS Name: 5-[(3-fluoro-2-thiophenyl)methyl]-7-(4-piperidinyl)-4-pyrrolo[2,3-d]pyrimidinamine dihydrochloride IUPAC Name: 5-[(3-fluorothiophen-2-yl)methyl]-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Traditional Name: [5-[(3-fluoro-2-thienyl)methyl]-7-(4-piperidyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine dihydrochloride Formula: C16H20Cl2FN5S MolecularWeight: 404.332903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C=C(C3=C2N=CN=C3N)CC4=C(C=CS4)F.Cl.Cl

Isomeric SMILES

C1CNCCC1N2C=C(C3=C2N=CN=C3N)CC4=C(C=CS4)F.Cl.Cl

InChI

InChI=1S/C16H18FN5S.2ClH/c17-12-3-6-23-13(12)7-10-8-22(11-1-4-19-5-2-11)16-14(10)15(18)20-9-21-16;;/h3,6,8-9,11,19H,1-2,4-5,7H2,(H2,18,20,21);2*1H