5-(piperidin-1-ylmethyl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline

Systemtic Name: 5-(piperidin-1-ylmethyl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline Openeye Name: 5-(1-piperidylmethyl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline CAS Name: 5-(1-piperidinylmethyl)-8-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]quinoline IUPAC Name: 5-(piperidin-1-ylmethyl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline Traditional Name: 5-(piperidinomethyl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)OCC4CCCN4C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)OC[C@H]4CCCN4C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C25H29N7O/c1-2-11-31(12-3-1)14-18-8-9-21(22-20(18)7-4-10-26-22)33-15-19-6-5-13-32(19)25-23-24(28-16-27-23)29-17-30-25/h4,7-10,16-17,19H,1-3,5-6,11-15H2,(H,27,28,29,30)/t19-/m1/s1