3-chloranyl-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[(3-oxidanylnaphthalen-1-yl)methylamino]purin-9-yl]oxolan-3-yl]benzamide

Systemtic Name: 3-chloranyl-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[(3-oxidanylnaphthalen-1-yl)methylamino]purin-9-yl]oxolan-3-yl]benzamide Openeye Name: 3-chloro-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(3-hydroxy-1-naphthyl)methylamino]purin-9-yl]tetrahydrofuran-3-yl]benzamide CAS Name: 3-chloro-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(3-hydroxy-1-naphthalenyl)methylamino]-9-purinyl]-3-oxolanyl]benzamide IUPAC Name: 3-chloro-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(3-hydroxynaphthalen-1-yl)methylamino]purin-9-yl]oxolan-3-yl]benzamide Traditional Name: 3-chloro-N-[(2R,3R,4S,5R)-4-hydroxy-2-[6-[(3-hydroxy-1-naphthyl)methylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3-yl]benzamide Formula: C28H25ClN6O5 MolecularWeight: 560.9883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=C2CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)NC(=O)C6=CC(=CC=C6)Cl)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=C2CNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC=C6)Cl)O

InChI

InChI=1S/C28H25ClN6O5/c29-18-6-3-5-16(8-18)27(39)34-22-24(38)21(12-36)40-28(22)35-14-33-23-25(31-13-32-26(23)35)30-11-17-10-19(37)9-15-4-1-2-7-20(15)17/h1-10,13-14,21-22,24,28,36-38H,11-12H2,(H,34,39)(H,30,31,32)/t21-,22-,24-,28-/m1/s1