4-chloranyl-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-yl-purin-6-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-yl-purin-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-isopropyl-purin-6-yl]benzamide CAS Name: 4-chloro-N-[2-[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]-9-propan-2-yl-6-purinyl]benzamide IUPAC Name: 4-chloro-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]benzamide Traditional Name: 4-chloro-N-[9-isopropyl-2-[(2R)-2-methylolpyrrolidino]purin-6-yl]benzamide Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(=O)C3=CC=C(C=C3)Cl)N4CCCC4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC(=O)C3=CC=C(C=C3)Cl)N4CCC[C@@H]4CO

InChI

InChI=1S/C20H23ClN6O2/c1-12(2)27-11-22-16-17(23-19(29)13-5-7-14(21)8-6-13)24-20(25-18(16)27)26-9-3-4-15(26)10-28/h5-8,11-12,15,28H,3-4,9-10H2,1-2H3,(H,23,24,25,29)/t15-/m1/s1