5-(4-phenoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride

Systemtic Name: 5-(4-phenoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Openeye Name: 5-(4-phenoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride CAS Name: 5-(4-phenoxyphenyl)-7-(3-pyrrolidinyl)-4-pyrrolo[2,3-d]pyrimidinamine dihydrochloride IUPAC Name: 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Traditional Name: [5-(4-phenoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-yl]amine dihydrochloride Formula: C22H23Cl2N5O MolecularWeight: 444.35692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CNCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C22H21N5O.2ClH/c23-21-20-19(13-27(16-10-11-24-12-16)22(20)26-14-25-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17;;/h1-9,13-14,16,24H,10-12H2,(H2,23,25,26);2*1H