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

Systemtic Name: 6-azanyl-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(cyclopentoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-cyclopentyloxy-9-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(cyclopentoxy)-9-[3-(pyrrolidinomethyl)benzyl]-7H-purin-8-one Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC(=CC=C4)CN5CCCC5

Isomeric SMILES

C1CCC(C1)OC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC(=CC=C4)CN5CCCC5

InChI

InChI=1S/C22H28N6O2/c23-19-18-20(26-21(25-19)30-17-8-1-2-9-17)28(22(29)24-18)14-16-7-5-6-15(12-16)13-27-10-3-4-11-27/h5-7,12,17H,1-4,8-11,13-14H2,(H,24,29)(H2,23,25,26)