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

Systemtic Name: 5-(4-phenylmethoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Openeye Name: 5-(4-benzyloxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride CAS Name: 5-(4-phenylmethoxyphenyl)-7-(3-pyrrolidinyl)-4-pyrrolo[2,3-d]pyrimidinamine dihydrochloride IUPAC Name: 5-(4-phenylmethoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Traditional Name: [5-(4-benzoxyphenyl)-7-pyrrolidin-3-yl-pyrrolo[2,3-d]pyrimidin-4-yl]amine dihydrochloride Formula: C23H25Cl2N5O MolecularWeight: 458.3835

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OCC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CNCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OCC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C23H23N5O.2ClH/c24-22-21-20(13-28(18-10-11-25-12-18)23(21)27-15-26-22)17-6-8-19(9-7-17)29-14-16-4-2-1-3-5-16;;/h1-9,13,15,18,25H,10-12,14H2,(H2,24,26,27);2*1H