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

Systemtic Name: N-(2-oxidanylpropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Openeye Name: N-(2-hydroxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide CAS Name: N-(2-hydroxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]-2-quinolinecarboxamide IUPAC Name: N-(2-hydroxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Traditional Name: N-(2-hydroxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinaldamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O3/c1-14(31)10-24-23(32)18-9-19(16-6-2-3-7-17(16)29-18)33-11-15-5-4-8-30(15)22-20-21(26-12-25-20)27-13-28-22/h2-3,6-7,9,12-15,31H,4-5,8,10-11H2,1H3,(H,24,32)(H,25,26,27,28)/t14?,15-/m1/s1