6-azanyl-2-(oxolan-3-yloxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(oxolan-3-yloxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-tetrahydrofuran-3-yloxy-7H-purin-8-one CAS Name: 6-amino-2-(3-oxolanyloxy)-9-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(oxolan-3-yloxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-9-[3-(pyrrolidinomethyl)benzyl]-2-tetrahydrofuran-3-yloxy-7H-purin-8-one Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OC5CCOC5)N)NC3=O

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OC5CCOC5)N)NC3=O

InChI

InChI=1S/C21H26N6O3/c22-18-17-19(25-20(24-18)30-16-6-9-29-13-16)27(21(28)23-17)12-15-5-3-4-14(10-15)11-26-7-1-2-8-26/h3-5,10,16H,1-2,6-9,11-13H2,(H,23,28)(H2,22,24,25)