(2R)-1-[8-(3-methoxyphenyl)-2-pyridin-4-yl-7H-purin-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[8-(3-methoxyphenyl)-2-pyridin-4-yl-7H-purin-6-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[8-(3-methoxyphenyl)-2-(4-pyridyl)-7H-purin-6-yl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[8-(3-methoxyphenyl)-2-pyridin-4-yl-7H-purin-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[8-(3-methoxyphenyl)-2-pyridin-4-yl-7H-purin-6-yl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[8-(3-methoxyphenyl)-2-(4-pyridyl)-7H-purin-6-yl]pyrrolidine-2-carboxamide Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(N2)C(=NC(=N3)C4=CC=NC=C4)N5CCCC5C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(N2)C(=NC(=N3)C4=CC=NC=C4)N5CCC[C@@H]5C(=O)N

InChI

InChI=1S/C22H21N7O2/c1-31-15-5-2-4-14(12-15)20-25-17-21(27-20)26-19(13-7-9-24-10-8-13)28-22(17)29-11-3-6-16(29)18(23)30/h2,4-5,7-10,12,16H,3,6,11H2,1H3,(H2,23,30)(H,25,26,27,28)/t16-/m1/s1