4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzonitrile CAS Name: 4-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]benzonitrile IUPAC Name: 4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzonitrile Traditional Name: 4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzonitrile Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC3=C2NC=N3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H16N6O/c18-8-12-3-5-14(6-4-12)24-9-13-2-1-7-23(13)17-15-16(20-10-19-15)21-11-22-17/h3-6,10-11,13H,1-2,7,9H2,(H,19,20,21,22)/t13-/m1/s1