N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethyl-1-pyrrolidinyl]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[(2R,5R)-2,5-dimethylpyrrolidino]purin-9-yl]-4-methyl-benzamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C)C

Isomeric SMILES

C[C@@H]1CC[C@H](N1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C)C

InChI

InChI=1S/C22H26N6O/c1-13-4-7-16(22(29)26-17-8-9-17)10-18(13)27-12-25-19-20(27)23-11-24-21(19)28-14(2)5-6-15(28)3/h4,7,10-12,14-15,17H,5-6,8-9H2,1-3H3,(H,26,29)/t14-,15-/m1/s1