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

Systemtic Name: N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-yl-purin-6-yl]-4-methoxy-benzamide Openeye Name: N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-isopropyl-purin-6-yl]-4-methoxy-benzamide CAS Name: N-[2-[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]-9-propan-2-yl-6-purinyl]-4-methoxybenzamide IUPAC Name: N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]-4-methoxybenzamide Traditional Name: N-[9-isopropyl-2-[(2R)-2-methylolpyrrolidino]purin-6-yl]-4-methoxy-benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-13(2)27-12-22-17-18(23-20(29)14-6-8-16(30-3)9-7-14)24-21(25-19(17)27)26-10-4-5-15(26)11-28/h6-9,12-13,15,28H,4-5,10-11H2,1-3H3,(H,23,24,25,29)/t15-/m1/s1