N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-bromanyl-benzamide

Systemtic Name: N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-bromanyl-benzamide Openeye Name: N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-bromo-benzamide CAS Name: N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-bromobenzamide IUPAC Name: N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-bromobenzamide Traditional Name: N-[(1R,2R)-2-adenin-9-ylcyclopentyl]-3-bromo-benzamide Formula: C17H17BrN6O MolecularWeight: 401.26048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)N2C=NC3=C2N=CN=C3N)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C[C@H]([C@@H](C1)N2C=NC3=C2N=CN=C3N)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H17BrN6O/c18-11-4-1-3-10(7-11)17(25)23-12-5-2-6-13(12)24-9-22-14-15(19)20-8-21-16(14)24/h1,3-4,7-9,12-13H,2,5-6H2,(H,23,25)(H2,19,20,21)/t12-,13-/m1/s1