N-[(3-oxidanylcyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide

Systemtic Name: N-[(3-oxidanylcyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Openeye Name: N-[(3-hydroxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide CAS Name: N-[(3-hydroxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]-2-quinolinecarboxamide IUPAC Name: N-[(3-hydroxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide Traditional Name: N-[(3-hydroxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinaldamide Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC3=C2NC=N3)COC4=CC(=NC5=CC=CC=C54)C(=O)NCC6CC(C6)O

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)COC4=CC(=NC5=CC=CC=C54)C(=O)NCC6CC(C6)O

InChI

InChI=1S/C25H27N7O3/c33-17-8-15(9-17)11-26-25(34)20-10-21(18-5-1-2-6-19(18)31-20)35-12-16-4-3-7-32(16)24-22-23(28-13-27-22)29-14-30-24/h1-2,5-6,10,13-17,33H,3-4,7-9,11-12H2,(H,26,34)(H,27,28,29,30)/t15?,16-,17?/m1/s1