N-butyl-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide

Systemtic Name: N-butyl-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Openeye Name: N-butyl-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide CAS Name: N-butyl-4-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]-2-quinolinecarboxamide IUPAC Name: N-butyl-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Traditional Name: N-butyl-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinaldamide Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)OCC3CCCN3C4=NC=NC5=C4NC=N5

Isomeric SMILES

CCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)OC[C@H]3CCCN3C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H27N7O2/c1-2-3-10-25-24(32)19-12-20(17-8-4-5-9-18(17)30-19)33-13-16-7-6-11-31(16)23-21-22(27-14-26-21)28-15-29-23/h4-5,8-9,12,14-16H,2-3,6-7,10-11,13H2,1H3,(H,25,32)(H,26,27,28,29)/t16-/m1/s1