N-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-3-oxidanyl-propyl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-3-oxidanyl-propyl]quinoline-2-carboxamide Openeye Name: N-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxy-ethoxy]-3-hydroxy-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropyl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropyl]quinoline-2-carboxamide Traditional Name: N-[(2S)-2-[(1R)-1-adenin-9-yl-2-hydroxy-ethoxy]-3-hydroxy-propyl]quinaldamide Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC(CO)OC(CO)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC[C@@H](CO)O[C@H](CO)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H21N7O4/c21-18-17-19(24-10-23-18)27(11-25-17)16(9-29)31-13(8-28)7-22-20(30)15-6-5-12-3-1-2-4-14(12)26-15/h1-6,10-11,13,16,28-29H,7-9H2,(H,22,30)(H2,21,23,24)/t13-,16+/m0/s1