(2S)-1-[8-(2-hydroxyethyloxymethyl)-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[8-(2-hydroxyethyloxymethyl)-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[8-(2-hydroxyethoxymethyl)-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[8-(2-hydroxyethoxymethyl)-2-phenyl-7H-purin-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[8-(2-hydroxyethoxymethyl)-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[8-(2-hydroxyethoxymethyl)-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2NC(=N3)COCCO)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=NC3=C2NC(=N3)COCCO)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C19H22N6O3/c20-16(27)13-7-4-8-25(13)19-15-18(22-14(21-15)11-28-10-9-26)23-17(24-19)12-5-2-1-3-6-12/h1-3,5-6,13,26H,4,7-11H2,(H2,20,27)(H,21,22,23,24)/t13-/m0/s1